@MOLECULE C30 118 118 0 0 0 SMALL GASTEIGER @ATOM 1 C -14.7300 -3.7270 1.0980 C.3 1 UNL1 -0.0440 2 C -14.8720 -4.4720 -0.2040 C.2 1 UNL1 -0.0796 3 C -15.8950 -5.5710 -0.3360 C.3 1 UNL1 -0.0440 4 C -14.1060 -4.1650 -1.2210 C.2 1 UNL1 -0.0850 5 C -13.0000 -3.1560 -1.0540 C.3 1 UNL1 -0.0308 6 C -11.6560 -3.8140 -1.3740 C.3 1 UNL1 -0.0286 7 C -10.5500 -2.8050 -1.2070 C.2 1 UNL1 -0.0762 8 C -10.2000 -1.8750 -2.3400 C.3 1 UNL1 -0.0438 9 C -9.8920 -2.7360 -0.0760 C.2 1 UNL1 -0.0847 10 C -8.8720 -1.6460 0.1370 C.3 1 UNL1 -0.0308 11 C -9.2800 -0.7950 1.3420 C.3 1 UNL1 -0.0286 12 C -8.2610 0.2940 1.5550 C.2 1 UNL1 -0.0762 13 C -7.0160 0.0140 2.3570 C.3 1 UNL1 -0.0438 14 C -8.4570 1.4840 1.0430 C.2 1 UNL1 -0.0847 15 C -7.3870 2.5390 1.1570 C.3 1 UNL1 -0.0308 16 C -6.9480 2.9730 -0.2430 C.3 1 UNL1 -0.0286 17 C -5.8780 4.0280 -0.1290 C.2 1 UNL1 -0.0762 18 C -6.2620 5.4760 0.0430 C.3 1 UNL1 -0.0438 19 C -4.6140 3.6870 -0.1790 C.2 1 UNL1 -0.0847 20 C -3.5440 4.7240 0.0480 C.3 1 UNL1 -0.0308 21 C -2.6530 4.2900 1.2130 C.3 1 UNL1 -0.0286 22 C -1.5830 5.3270 1.4410 C.2 1 UNL1 -0.0762 23 C -1.8650 6.5210 2.3160 C.3 1 UNL1 -0.0438 24 C -0.4080 5.1900 0.8780 C.2 1 UNL1 -0.0847 25 C -0.1720 4.0780 -0.1120 C.3 1 UNL1 -0.0308 26 C 0.3850 4.6630 -1.4120 C.3 1 UNL1 -0.0285 27 C 0.6210 3.5510 -2.4010 C.2 1 UNL1 -0.0741 28 C -0.5050 3.0740 -3.2820 C.3 1 UNL1 -0.0437 29 C 1.8050 2.9990 -2.4950 C.2 1 UNL1 -0.0591 30 C 2.8960 3.3850 -1.5290 C.3 1 UNL1 0.0775 31 C 8.1870 -2.0640 0.4920 C.3 1 UNL1 0.1912 32 C 6.8880 -3.7470 1.6020 C.3 1 UNL1 0.1130 33 C 6.7510 -4.4930 2.9310 C.3 1 UNL1 0.0730 34 C 7.1400 -4.7530 0.4750 C.3 1 UNL1 0.1112 35 C 7.3360 -3.9940 -0.8410 C.3 1 UNL1 0.1065 36 C 8.4910 -3.0020 -0.6790 C.3 1 UNL1 0.1028 37 C 9.8290 -1.6630 -2.2130 C.2 1 UNL1 0.2104 38 C 9.9820 -0.8570 -3.4770 C.3 1 UNL1 0.0122 39 N 8.6400 -2.2180 -1.9080 N.am 1 UNL1 -0.3053 40 O 3.5700 2.2080 -1.0770 O.3 1 UNL1 -0.2823 41 O 4.2700 2.7910 1.3890 O.3 1 UNL1 -0.3022 42 O 5.8520 3.1450 -0.5450 O.2 1 UNL1 -0.2269 43 O 5.3910 0.7620 0.1490 O.3 1 UNL1 -0.1860 44 O 7.8870 1.0460 0.3970 O.2 1 UNL1 -0.2268 45 O 6.6270 0.1200 2.3780 O.3 1 UNL1 -0.3022 46 O 7.0060 -1.3120 0.2060 O.3 1 UNL1 -0.2544 47 O 7.9850 -2.8350 1.6790 O.3 1 UNL1 -0.3407 48 O 6.4010 -3.5680 3.9620 O.3 1 UNL1 -0.3924 49 O 6.0180 -5.6300 0.3590 O.3 1 UNL1 -0.3865 50 O 7.6420 -4.9210 -1.8850 O.3 1 UNL1 -0.3871 51 O 10.7760 -1.8110 -1.4700 O.2 1 UNL1 -0.2761 52 P 4.7940 2.2470 -0.0320 P.3 1 UNL1 0.4837 53 P 6.7530 0.1730 0.7740 P.3 1 UNL1 0.4856 54 H -14.8350 -2.6570 0.9180 H 1 UNL1 0.0274 55 H -15.5030 -4.0560 1.7920 H 1 UNL1 0.0274 56 H -13.7480 -3.9290 1.5270 H 1 UNL1 0.0274 57 H -16.8380 -5.1490 -0.6840 H 1 UNL1 0.0274 58 H -15.5420 -6.3120 -1.0520 H 1 UNL1 0.0274 59 H -16.0460 -6.0450 0.6340 H 1 UNL1 0.0274 60 H -14.2680 -4.6350 -2.1800 H 1 UNL1 0.0572 61 H -13.1650 -2.3190 -1.7330 H 1 UNL1 0.0310 62 H -12.9910 -2.7930 -0.0260 H 1 UNL1 0.0310 63 H -11.4910 -4.6510 -0.6950 H 1 UNL1 0.0313 64 H -11.6650 -4.1770 -2.4020 H 1 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2.1150 H 1 UNL1 0.0313 88 H -2.1870 3.3330 0.9780 H 1 UNL1 0.0313 89 H -1.6010 6.2860 3.3470 H 1 UNL1 0.0274 90 H -1.2730 7.3700 1.9740 H 1 UNL1 0.0274 91 H -2.9250 6.7700 2.2600 H 1 UNL1 0.0274 92 H 0.3910 5.8740 1.1220 H 1 UNL1 0.0572 93 H 0.5440 3.3690 0.3030 H 1 UNL1 0.0310 94 H -1.1130 3.5680 -0.3160 H 1 UNL1 0.0310 95 H -0.3310 5.3720 -1.8270 H 1 UNL1 0.0313 96 H 1.3260 5.1730 -1.2070 H 1 UNL1 0.0313 97 H -0.5110 3.6500 -4.2080 H 1 UNL1 0.0274 98 H -0.3640 2.0180 -3.5130 H 1 UNL1 0.0274 99 H -1.4540 3.2090 -2.7640 H 1 UNL1 0.0274 100 H 2.0000 2.2670 -3.2650 H 1 UNL1 0.0594 101 H 3.6070 4.0420 -2.0280 H 1 UNL1 0.0610 102 H 2.4580 3.9030 -0.6760 H 1 UNL1 0.0610 103 H 9.0250 -1.3830 0.6400 H 1 UNL1 0.0935 104 H 5.9700 -3.1950 1.3980 H 1 UNL1 0.0647 105 H 5.9720 -5.2510 2.8430 H 1 UNL1 0.0584 106 H 7.6980 -4.9720 3.1780 H 1 UNL1 0.0584 107 H 8.0350 -5.3330 0.6980 H 1 UNL1 0.0646 108 H 6.4230 -3.4540 -1.0900 H 1 UNL1 0.0640 109 H 9.4140 -3.5460 -0.4790 H 1 UNL1 0.0575 110 H 9.0320 -0.8350 -4.0110 H 1 UNL1 0.0322 111 H 10.2810 0.1610 -3.2250 H 1 UNL1 0.0322 112 H 10.7430 -1.3140 -4.1090 H 1 UNL1 0.0322 113 H 7.8820 -2.1000 -2.5020 H 1 UNL1 0.1492 114 H 3.5740 2.2500 1.7850 H 1 UNL1 0.2220 115 H 5.9030 -0.4350 2.6980 H 1 UNL1 0.2220 116 H 6.2970 -3.9720 4.8340 H 1 UNL1 0.2095 117 H 5.8350 -6.1430 1.1580 H 1 UNL1 0.2100 118 H 6.9550 -5.5830 -2.0380 H 1 UNL1 0.2100 @BOND 1 1 2 1 2 3 2 1 3 2 4 2 4 4 5 1 5 5 6 1 6 6 7 1 7 16 15 1 8 16 17 1 9 15 14 1 10 7 8 1 11 7 9 2 12 17 18 1 13 17 19 2 14 13 12 1 15 14 12 2 16 19 20 1 17 9 10 1 18 12 11 1 19 28 27 1 20 20 21 1 21 10 11 1 22 44 53 2 23 27 26 1 24 27 29 2 25 26 25 1 26 45 53 1 27 21 22 1 28 29 30 1 29 25 24 1 30 53 43 1 31 53 46 1 32 22 24 2 33 22 23 1 34 30 40 1 35 43 52 1 36 46 31 1 37 31 36 1 38 31 47 1 39 50 35 1 40 36 35 1 41 36 39 1 42 34 35 1 43 34 49 1 44 34 32 1 45 33 48 1 46 33 32 1 47 40 52 1 48 39 37 am 49 52 42 2 50 52 41 1 51 47 32 1 52 51 37 2 53 37 38 1 54 1 54 1 55 1 55 1 56 1 56 1 57 3 57 1 58 3 58 1 59 3 59 1 60 4 60 1 61 5 61 1 62 5 62 1 63 6 63 1 64 6 64 1 65 8 65 1 66 8 66 1 67 8 67 1 68 9 68 1 69 10 69 1 70 10 70 1 71 11 71 1 72 11 72 1 73 13 73 1 74 13 74 1 75 13 75 1 76 14 76 1 77 15 77 1 78 15 78 1 79 16 79 1 80 16 80 1 81 18 81 1 82 18 82 1 83 18 83 1 84 19 84 1 85 20 85 1 86 20 86 1 87 21 87 1 88 21 88 1 89 23 89 1 90 23 90 1 91 23 91 1 92 24 92 1 93 25 93 1 94 25 94 1 95 26 95 1 96 26 96 1 97 28 97 1 98 28 98 1 99 28 99 1 100 29 100 1 101 30 101 1 102 30 102 1 103 31 103 1 104 32 104 1 105 33 105 1 106 33 106 1 107 34 107 1 108 35 108 1 109 36 109 1 110 38 110 1 111 38 111 1 112 38 112 1 113 39 113 1 114 41 114 1 115 45 115 1 116 48 116 1 117 49 117 1 118 50 118 1