$ASSIGN POOLKU3B:HYDRIDES.ASC FOR001 $ASSIGN POOLKU1:HYDRIDES.BIN FOR002 $RUN SYNTHE:MOLBIN 1000 -231.3960 -5.754 1.5 -0.055 1.5 -43202.734 108.00X00F1 A04E1 18 2000 241.9514 -4.435 6.5 4609.138 5.5 45927.195 108.00X01F2 A05F2 16 3000 -249.2939 -5.258 3.5 10605.373 2.5 -50706.570 108.00X03E2 A08E1 16 4000 -257.3150 -3.575 5.5 -10661.304 6.5 -49512.545 108.00X03E1 A07E1 18 5000 262.3416 -3.046 11.5 9202.945 12.5 47309.819 108.00X02E1 A05E1 16 6000 -267.5049 -2.764 14.5 -14040.933 14.5 -51412.322 108.00X03E2 A07F2 18 7000 271.1210 -4.873 5.5 411.720 6.5 37284.690 106.00X00E1 C02E1 12 8000 274.9900 -4.674 23.5 9691.288 22.5 46045.500 108.00X00F1 A02F2 16 9000 -278.3601 -4.370 16.5 -3722.888 15.5 -39636.978 106.00X00E1 C02E1 13 10000 281.3044 -3.976 7.5 8243.550 6.5 43781.760 108.00X02E2 A04E1 16 11000 283.9559 -2.747 6.5 10893.596 7.5 46099.977 108.00X03E1 A05E1 16 12000 -286.5455 -4.040 21.5 12151.737 21.5 -47039.970 108.00X01F2 A03E1 16 13000 -289.2207 -3.844 6.5 -770.925 7.5 -35336.462 106.00X00F2 C01F2 13 14000 -291.4442 -3.974 26.5 -12220.987 27.5 -46522.832 106.00X01F2 C03F2 13 15000 -293.8046 -2.883 8.5 17281.085 8.5 -51307.359 108.00X05F1 A08E1 16 16000 -296.1158 -5.832 12.0 -10779.396 12.0 -44540.101 107.00X03E1 A05F1 14 17000 -298.6857 -4.733 6.5 6055.020 7.5 -39525.263 106.00X02E2 C03E1 12 18000 -301.5418 -2.143 22.5 -18778.836 23.5 -51932.077 108.00X03F2 A05F2 16 19000 -303.7101 -4.091 36.5 -16514.255 37.5 -49430.810 106.00X00F1 C00F2 12 20000 305.4858 -3.870 10.0 4832.716 11.0 37557.949 107.00X01F2 A02F2 14 21000 307.2063 -2.931 1.5 0.000 1.5 32541.960 108.00X00E1 A00F2 16 22000 -309.0488 -5.472 31.5 -12671.141 31.5 -45019.101 106.00X00E1 C00F2 13 23000 -310.6743 -2.075 20.5 -11063.033 19.5 -43241.750 106.00X02F2 C03F2 13 24000 -312.2855 -3.654 15.5 -19721.477 15.5 -51734.179 108.00X05E1 A07F2 16 25000 -313.8249 -3.872 32.5 -16312.885 31.5 -48168.555 106.00X01F2 C03F2 13 26000 -315.0962 -3.798 15.5 -19728.818 14.5 -51455.966 108.00X05F1 A07F2 16 27000 316.5150 -1.739 12.5 6312.283 12.5 37897.220 108.00X01F1 A01E1 16 28000 -318.0126 -1.644 15.5 -7715.717 15.5 -39151.924 108.00X01F1 A01E1 18 29000 -319.4464 -3.613 34.0 -16344.175 35.0 -47639.289 107.00X00E1 A00E2 14 30000 -320.9484 -0.186 40.5 -19629.967 40.5 -50778.621 106.00X00F1 C00E1 13 31000 322.4522 -3.821 4.5 16717.771 5.5 47721.167 108.00X05E2 A06E1 16 32000 -324.0853 -4.921 24.5 -14833.419 25.5 -45680.594 106.00X03F1 C03F2 13 33000 -326.0963 -5.503 19.5 -10563.271 19.5 -41220.217 106.00X02F2 C02E1 13 34000 -328.0011 -6.508 22.5 9284.790 22.5 -39763.709 106.00X01E1 A05F1 12 35000 -329.7439 -3.013 8.0 -17265.451 7.0 -47583.283 107.00X06F2 A07F3 15 36000 -331.3422 -2.651 17.5 -21112.487 18.5 -51284.078 108.00X05F2 A06F2 18 37000 -333.1866 -7.733 9.5 4205.830 10.5 -34210.412 106.00X01F2 A04F1 12 38000 -334.9659 -2.416 24.5 -19447.666 25.5 -49292.872 108.00X03E1 A03E1 16 39000 -336.2743 -0.477 20.0 -6545.244 20.0 -36274.333 107.00X00F2 A00E2 15 40000 337.3307 -2.564 13.0 6349.232 14.0 35985.217 107.00X01E3 A01E2 14 41000 -338.5334 -6.094 2.5 190.560 2.5 -29721.264 114.00X00F2 A04E1 28 42000 -339.7990 -2.652 10.5 -7012.322 11.5 -36433.043 106.00X02F2 C01F2 13 43000 -340.9125 -2.834 32.0 -18699.299 33.0 -48023.927 107.00X01E3 A01E2 15 44000 342.1145 -4.297 11.5 15743.835 11.5 44965.432 108.00X04F2 A04E1 16 45000 -343.1959 -1.881 30.5 -16318.083 30.5 -45447.610 106.00X02F1 C01E1 13 46000 -344.1583 -7.091 37.5 -21249.011 37.5 -50297.082 106.00X02E1 C03F2 12 47000 345.2990 -3.393 11.0 5534.090 10.0 34486.200 107.00X01E3 A01E2 14 48000 -346.4541 -4.619 19.5 -19634.195 20.5 -48489.783 108.00X04E2 A04E1 16 49000 -347.7784 -2.620 23.5 -10379.605 22.5 -39125.319 106.00X01F2 C00F2 13 50000 -348.8190 -0.693 26.0 -15207.643 25.0 -43867.606 107.00X02E1 A02E1 14 51000 -349.9548 -5.744 4.5 167.807 3.5 -28734.756 114.00X00E1 A03E2 28 52000 -351.1427 -5.673 8.5 560.792 7.5 -29031.097 114.00X00F1 A03F2 28 53000 -352.2795 -1.418 8.0 -17100.612 7.0 -45479.046 107.00X06E1 A06E1 14 54000 -353.4896 -2.208 3.0 -18703.569 2.0 -46984.862 107.00X07F2 A07F3 15 55000 354.7900 -5.346 8.5 1001.930 7.5 29179.570 106.00X00E1 A02E1 12 56000 -356.1505 -4.876 2.5 2879.830 2.5 -30949.827 106.00X01E2 A03F2 12 57000 -357.6519 -4.519 5.5 -4098.085 6.5 -32050.250 114.00X02F1 A08F1 29 58000 -359.2187 -2.250 24.5 -17473.068 24.5 -45303.317 106.00X04E2 C03F2 12 59000 -360.6341 -4.353 3.5 5585.920 4.5 -33306.951 106.00X02E2 A04E2 12 60000 -361.7497 -5.145 16.5 4204.670 17.5 -31840.212 114.00X01E2 A05E1 28 61000 -362.9145 -2.811 30.0 -20959.933 31.0 -48506.779 107.00X03F2 A02F2 15 62000 -364.0544 -2.162 9.0 -17214.231 9.0 -44674.826 107.00A01F C00E 15 63000 -365.2905 -3.873 11.5 4817.360 11.5 -32185.037 114.00X02F1 A08E1 28 64000 -366.4889 -6.068 14.5 8026.330 13.5 -35304.518 106.00X02E1 A04E2 12 65000 -367.6576 -3.818 20.5 -5266.397 20.5 -32457.878 114.00X01F2 A05E2 30 66000 -368.7037 -7.235 31.5 -19680.572 32.5 -46794.905 106.00X03E2 C01E1 12 67000 -369.6991 -4.307 23.5 -6197.845 23.5 -33239.171 114.00X01E2 A06F2 30 68000 -370.7341 -7.190 32.5 13476.870 31.5 -40442.706 106.00X00E1 A02E2 12 69000 -371.8684 -4.646 12.5 -2508.876 13.5 -29392.464 106.00X00F2 B01F1 13 70000 -372.7750 -3.616 11.5 -5024.375 12.5 -31842.583 114.00X02E2 A06E2 29 71000 -373.7426 -2.300 17.0 -15624.827 17.0 -42373.607 107.00X04F2 A03E2 14 72000 -374.4089 -4.655 24.5 -6543.456 23.5 -33244.632 114.00X01F2 A06F2 28 73000 -375.2076 -3.464 5.0 -14455.962 6.0 -41100.302 107.00X05F2 A04F1 14 74000 -376.1285 -4.127 7.5 -4281.929 7.5 -30861.038 114.00X02E1 A05F2 30 75000 -377.0369 -3.477 12.0 -18314.718 11.0 -44829.789 107.00X06F2 A05F3 14 76000 -377.8793 -2.856 11.0 -13056.985 10.0 -39512.947 107.00X04E1 A03E1 14 77000 -378.7547 -3.058 8.0 -19404.745 7.0 -45799.562 107.00X07F2 A06F3 15 78000 -379.6854 -3.422 3.0 -20657.028 2.0 -46987.143 107.00X08E1 A07E3 15 79000 -380.5522 -3.646 16.5 -5772.774 15.5 -32042.918 114.00X02E1 A06E1 29 80000 -381.6054 -1.590 7.0 -21092.833 7.0 -47290.477 107.00X08E1 A07F1 14 81000 383.0931 -7.492 6.5 3291.550 7.5 29387.460 106.00X01E1 A02E2 12 82000 -384.5485 -3.579 7.5 -6098.940 8.5 -32096.088 114.00X03F1 A08F1 29 83000 -385.9509 -3.613 6.5 -6163.676 6.5 -32066.366 114.00X03F2 A08E2 29 84000 -387.3177 -4.328 19.5 -12859.547 18.5 -38670.826 106.00X03E2 A05E2 12 85000 -388.8458 -4.300 16.0 -20076.099 15.0 -45785.950 107.00X06E3 A05E2 14 86000 -390.1235 -5.758 16.5 -8766.052 16.5 -34391.700 106.00X02E1 A03F2 13 87000 -391.4542 -3.300 8.5 -6390.507 8.5 -31929.045 114.00X03E2 A07F2 28 88000 -392.9093 -3.811 5.5 5874.740 5.5 -31318.701 106.00X02F2 A03E2 12 89000 -394.0689 -4.233 9.5 -6522.166 8.5 -31891.260 114.00X03E2 A07E1 28 90000 -395.3860 -2.529 16.5 -4401.483 15.5 -29686.069 112.00X02F2 B10F2 26 91000 -396.3773 -2.707 8.5 -2694.026 8.5 -27915.380 114.00X01F2 A02E2 30 92000 -397.5302 -3.423 13.5 -6949.071 12.5 -32097.281 114.00X03E1 A07E1 29 93000 -398.6634 -2.851 8.5 -8680.363 8.5 -33757.089 106.00X03F1 A04E1 13 94000 399.8367 -8.036 12.5 5154.730 11.5 30157.870 106.00X01E2 A02E1 12 95000 -401.0930 -3.798 24.5 -7970.843 23.5 -32895.669 114.00X02F1 A08F1 28 96000 -402.3684 -2.474 8.5 -11026.598 9.5 -35872.420 106.00X04E1 A05E1 12 97000 -403.4523 -2.394 21.5 -5414.629 22.5 -30193.702 112.00X02F2 B10F2 26 98000 -404.3964 -5.884 25.5 13877.120 26.5 -38598.346 106.00X02E2 A03E1 12 99000 405.3379 -5.518 7.5 19753.890 8.5 44417.695 108.00X06F1 A04F2 16 100000 -406.3651 -2.057 11.5 4900.040 12.5 -29501.502 112.00X03F2 B10F2 24 101000 -407.3028 -5.683 4.5 -12739.662 5.5 37284.490 106.00X05F2 C02F2 12 102000 -408.2099 -5.581 18.0 -18822.333 19.0 -43312.618 107.00X05E3 A03E2 14 103000 -409.0024 -4.680 14.5 -12597.822 13.5 -37040.658 106.00X04F1 A05F2 13 104000 -409.6756 -2.272 19.5 -2793.512 19.5 -27196.182 114.00X00E1 A00F2 28 105000 -410.2419 -4.747 14.5 5171.929 14.5 -29540.912 112.00X03E1 A07F1 24 106000 -410.9518 -3.865 4.0 -16656.123 4.0 -40983.015 107.00X06F2 A04E2 14 107000 -411.7928 -1.903 18.5 -6245.733 18.5 -30522.939 114.00X02E1 A03F1 29 108000 -412.5840 -7.070 8.5 -13425.469 8.5 37656.120 106.00X05F2 C02E1 12 109000 -413.3831 -0.862 36.5 -16457.933 37.5 -40641.750 106.00X00E1 A00E1 13 110000 -414.1762 -1.518 24.5 -4635.524 25.5 -28773.030 112.00X01E1 B07E1 25 111000 -414.8671 -4.325 22.5 -7733.751 23.5 -31831.060 112.00X04E1 A08E1 25 112000 -415.7372 -4.036 12.5 7205.880 12.5 -31252.756 112.00X05E1 A09F1 24 113000 -416.5169 -3.850 23.5 -26982.789 24.5 -50984.653 108.00X06F2 A04F2 16 114000 -417.2669 -2.226 20.5 -6763.816 19.5 -30722.539 114.00X02E1 A03E1 30 115000 -418.1746 -5.722 2.5 -7955.909 1.5 31862.630 106.00X03F2 C00F2 12 116000 -418.9885 -1.066 24.5 -10976.219 25.5 -34836.496 106.00X01E2 A01E2 13 117000 419.9361 -3.925 9.5 1250.160 10.5 25056.600 106.00X00F1 A00F2 12 118000 420.7951 -1.978 8.5 2515.640 7.5 26273.480 114.00X01E1 A01E1 28 119000 -421.5311 -2.067 26.5 -4133.513 27.5 -27849.874 112.00X00F2 B05F2 25 120000 -422.3681 -3.698 1.5 -7600.874 2.5 -31270.236 114.00X04E2 A06E2 30 121000 -423.2360 -1.008 22.5 -5880.252 22.5 -29501.079 114.00X01F2 A01E2 29 122000 -424.1567 -4.884 24.5 -16947.696 23.5 -40517.250 106.00X04F1 A05F2 12 123000 -424.9879 -1.653 29.5 6299.654 28.5 -29823.115 112.00X01F2 B08F2 24 124000 -425.7867 -2.776 17.5 -1914.945 18.5 -25394.272 112.00X00F2 B03F2 26 125000 426.6557 -3.442 3.5 2884.240 4.5 26315.750 106.00X01E1 A01E2 12 126000 -427.3790 -2.687 29.5 -8369.471 30.5 -31761.324 114.00X01F2 A01F1 30 127000 -428.2489 -3.052 10.5 -8195.071 9.5 -31539.406 114.00X04F1 A06F1 30 128000 -429.0871 -0.894 18.5 -4640.426 18.5 -27939.164 106.00X00F1 A00E1 13 129000 -429.8498 -1.429 12.5 -9711.789 13.5 -32969.184 106.00X03E1 A03E1 13 130000 -430.5542 -3.774 19.5 -6202.574 19.5 -29421.921 112.00X03F2 A06E2 25 131000 -431.2332 -1.598 32.5 7231.747 33.5 -30414.536 112.00X01F2 B08F2 24 132000 -432.2128 -4.522 4.5 7667.700 5.5 -30797.945 112.00X06F2 A09F2 24 133000 -432.8456 -4.769 18.0 -24658.921 19.0 -47755.352 107.00X08E3 A05E3 14 134000 433.7800 -6.368 2.5 2802.930 2.5 25849.610 106.00X01F1 B00E2 12 135000 -434.6753 -4.505 28.5 -5998.129 27.5 -28997.340 112.00X01F2 A04F2 25 136000 -435.3496 -1.154 27.5 -17192.479 28.5 -40156.072 106.00X03F2 A03F2 12 137000 -436.1254 -2.978 2.5 -7934.062 1.5 -30856.806 106.00X03F2 A03F2 13 138000 -436.9623 -4.290 12.5 -28048.882 12.5 -50927.721 108.00X09E1 A07F2 16 139000 -437.8429 -3.669 39.5 -10299.730 39.5 -33132.555 112.00X02E1 A05F1 25 140000 -438.7424 -2.730 18.5 -6970.236 17.5 -29756.252 112.00X04E1 B10E1 26 141000 -439.6212 -3.568 20.5 -27425.383 19.5 -50165.850 108.00X07F2 A05F2 18 142000 -440.5814 -1.717 39.5 -8495.811 40.5 -31186.719 112.00X00F2 B08F2 25 143000 -441.5145 -2.303 8.5 -6390.507 8.5 -29033.463 114.00X03E2 A03F1 28 144000 -442.5547 -3.603 27.5 -12929.144 27.5 35518.880 106.00X01E2 A01F1 12 145000 -443.5763 -3.707 2.5 -9185.615 1.5 -31723.324 114.00X05F1 A07F2 29 146000 -444.4665 -2.595 23.5 -9390.897 23.5 -31883.468 114.00X03F1 A03E2 28 147000 -445.4738 -4.750 25.5 -4891.474 26.5 -27333.183 112.00X01E1 A03E1 25 148000 -446.3300 -4.970 14.5 -2740.357 15.5 -25139.020 112.00X01F2 A03F2 26 149000 -447.2383 -1.103 21.5 -15950.789 21.5 -38303.960 106.00X04F2 A04E2 12 150000 -448.2218 -4.600 10.5 -6990.814 11.5 -29294.937 112.00X05E1 A07E2 25 151000 -449.0197 -4.923 25.5 -28221.233 26.5 -50485.723 108.00X06F2 A03F2 16 152000 -449.6553 -2.487 18.5 -8289.920 18.5 -30522.939 114.00X03E2 A03F1 29 153000 -450.2430 -2.749 3.5 -1543.300 4.5 -23747.298 112.00X01F2 B02F2 25 154000 -450.8809 -1.694 7.5 -3097.845 6.5 -25270.432 112.00X02E1 B04E1 25 155000 -451.4450 -3.670 21.5 -10782.447 22.5 -32927.331 114.00X04F2 A06F1 30 156000 -452.1190 -1.675 20.5 -8828.610 19.5 -30940.479 114.00X03F2 A03F2 28 157000 -452.6848 -2.975 2.5 -9191.089 3.5 -31275.323 114.00X05E1 A06E1 28 158000 -453.3196 -2.415 29.5 -7469.970 30.5 -29523.279 112.00X02F2 B07F2 26 159000 -454.0297 -2.605 9.5 8018.090 8.5 -30036.906 112.00X06F2 A08F2 24 160000 -454.7917 -3.142 1.5 -9290.823 2.5 -31272.749 114.00X05E2 A06E2 29 161000 -455.7152 -4.491 13.5 -9308.154 12.5 -31245.532 112.00X07F2 A09F1 25 162000 -456.7883 -3.193 14.5 -10489.406 15.5 -32375.249 114.00X05E1 A08E2 30 163000 -457.8545 -2.622 5.5 -9501.595 5.5 -31336.477 114.00X05E2 A06F1 29 164000 -459.1140 -3.753 2.5 -4127.049 3.5 -25902.032 112.00X03E1 B05E1 26 165000 -460.4253 -4.878 33.5 -8368.266 32.5 -30081.234 112.00X02E1 A04E1 25 166000 -461.7748 -5.992 40.5 -29524.055 41.5 -51173.567 106.00X07F2 C03F2 12 167000 -463.1000 -2.730 5.0 -25796.782 4.0 -47384.346 107.00A04F C02F 14 168000 -464.5436 -3.570 49.5 -12060.971 49.5 -33581.452 112.00X00E1 A01F2 26 169000 -465.9951 -1.720 22.5 -4149.839 21.5 -25603.286 112.00X01E1 B03E1 25 170000 -467.2135 -1.940 15.5 -6493.975 16.5 -27891.477 112.00X04E1 B07E1 25 171000 -468.2517 -3.290 39.5 9271.719 39.5 -30621.778 112.00X01E1 A02F2 24 172000 -469.2011 -5.332 19.5 -17020.479 18.5 -38327.340 106.00X05E2 A05E1 12 173000 -470.2361 -0.602 32.5 -8065.213 33.5 -29325.175 112.00X02E1 A03E1 25 174000 -471.1853 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