@MOLECULE ***** 70 75 0 0 0 SMALL GASTEIGER @ATOM 1 C 8.8040 -0.6140 -2.3970 C.3 1 UNL1 -0.0127 2 N 8.1900 0.2210 -1.3560 N.3 1 UNL1 -0.3029 3 C 6.9740 0.8770 -1.8560 C.3 1 UNL1 0.0114 4 C 6.4110 1.7970 -0.7710 C.3 1 UNL1 0.0118 5 N 6.1220 1.0080 0.4350 N.3 1 UNL1 -0.2967 6 C 5.5080 1.8430 1.4760 C.3 1 UNL1 0.0332 7 C 4.0440 2.1080 1.1200 C.3 1 UNL1 0.1022 8 O 3.3150 0.8790 1.1570 O.3 1 UNL1 -0.4905 9 C 1.9910 0.9390 0.8640 C.ar 1 UNL1 0.1261 10 C 1.2270 -0.2290 0.8840 C.ar 1 UNL1 0.0226 11 C -0.1190 -0.1940 0.5900 C.ar 1 UNL1 0.1368 12 O -0.8540 -1.3340 0.6120 O.3 1 UNL1 -0.4878 13 C -0.1870 -2.5280 1.0270 C.3 1 UNL1 0.1044 14 C -1.2150 -3.5290 1.5630 C.3 1 UNL1 0.0078 15 C -0.5020 -4.8330 1.9310 C.3 1 UNL1 0.0510 16 O 0.1790 -5.3430 0.7830 O.3 1 UNL1 -0.3795 17 C 1.1850 -4.4690 0.2670 C.3 1 UNL1 0.0510 18 C 0.5400 -3.1510 -0.1690 C.3 1 UNL1 0.0078 19 C -0.7240 1.0330 0.2670 C.ar 1 UNL1 0.0822 20 C -2.0990 1.1300 -0.0430 C.ar 1 UNL1 0.1375 21 N -2.9060 0.0110 -0.0400 N.pl3 1 UNL1 -0.2947 22 C -4.2350 0.1060 -0.4710 C.ar 1 UNL1 0.0970 23 C -5.1520 0.8600 0.2550 C.ar 1 UNL1 0.1887 24 O -5.0160 1.5920 1.4000 O.3 1 UNL1 -0.4507 25 C -6.3560 1.7960 1.8860 C.3 1 UNL1 0.2333 26 O -7.1630 1.7380 0.6950 O.3 1 UNL1 -0.4525 27 C -6.4700 0.9500 -0.1780 C.ar 1 UNL1 0.1682 28 C -6.8660 0.2880 -1.3310 C.ar 1 UNL1 -0.0146 29 C -5.9530 -0.4600 -2.0500 C.ar 1 UNL1 -0.0379 30 C -4.6390 -0.5490 -1.6280 C.ar 1 UNL1 0.0659 31 CL -3.4960 -1.4840 -2.5400 Cl 1 UNL1 -0.0815 32 N -2.5930 2.3270 -0.3380 N.ar 1 UNL1 -0.2199 33 C -1.8310 3.4070 -0.3440 C.ar 1 UNL1 0.1187 34 N -0.5490 3.3770 -0.0650 N.ar 1 UNL1 -0.2350 35 C 0.0530 2.2180 0.2470 C.ar 1 UNL1 0.0830 36 C 1.4160 2.1540 0.5540 C.ar 1 UNL1 0.0064 37 C 7.3380 0.3520 0.9350 C.3 1 UNL1 0.0118 38 C 7.9020 -0.5680 -0.1500 C.3 1 UNL1 0.0114 39 H 9.0690 0.0080 -3.2520 H 1 UNL1 0.0391 40 H 9.7020 -1.0880 -2.0000 H 1 UNL1 0.0391 41 H 8.0970 -1.3820 -2.7110 H 1 UNL1 0.0391 42 H 7.2160 1.4650 -2.7420 H 1 UNL1 0.0439 43 H 6.2330 0.1210 -2.1130 H 1 UNL1 0.0439 44 H 7.1420 2.5700 -0.5330 H 1 UNL1 0.0439 45 H 5.4930 2.2620 -1.1290 H 1 UNL1 0.0439 46 H 5.5610 1.3270 2.4340 H 1 UNL1 0.0460 47 H 6.0430 2.7910 1.5440 H 1 UNL1 0.0460 48 H 3.6160 2.8060 1.8390 H 1 UNL1 0.0709 49 H 3.9850 2.5350 0.1190 H 1 UNL1 0.0709 50 H 1.6950 -1.1700 1.1330 H 1 UNL1 0.0691 51 H 0.5330 -2.2900 1.8100 H 1 UNL1 0.0734 52 H -1.6990 -3.1160 2.4480 H 1 UNL1 0.0323 53 H -1.9640 -3.7280 0.7960 H 1 UNL1 0.0323 54 H 0.2180 -4.6410 2.7260 H 1 UNL1 0.0561 55 H -1.2350 -5.5640 2.2730 H 1 UNL1 0.0561 56 H 1.9280 -4.2720 1.0400 H 1 UNL1 0.0561 57 H 1.6680 -4.9380 -0.5910 H 1 UNL1 0.0561 58 H -0.1730 -3.3420 -0.9700 H 1 UNL1 0.0323 59 H 1.3120 -2.4670 -0.5220 H 1 UNL1 0.0323 60 H -2.5530 -0.8400 0.2610 H 1 UNL1 0.1537 61 H -6.6370 1.0030 2.5780 H 1 UNL1 0.1166 62 H -6.4460 2.7720 2.3630 H 1 UNL1 0.1166 63 H -7.8900 0.3580 -1.6670 H 1 UNL1 0.0656 64 H -6.2660 -0.9740 -2.9470 H 1 UNL1 0.0634 65 H -2.2830 4.3570 -0.5900 H 1 UNL1 0.1048 66 H 2.0160 3.0520 0.5460 H 1 UNL1 0.0676 67 H 8.0800 1.1080 1.1920 H 1 UNL1 0.0439 68 H 7.0960 -0.2360 1.8210 H 1 UNL1 0.0439 69 H 7.1700 -1.3410 -0.3880 H 1 UNL1 0.0439 70 H 8.8200 -1.0340 0.2080 H 1 UNL1 0.0439 @BOND 1 1 2 1 2 1 39 1 3 1 40 1 4 1 41 1 5 2 3 1 6 2 38 1 7 3 4 1 8 3 42 1 9 3 43 1 10 4 5 1 11 4 44 1 12 4 45 1 13 5 6 1 14 5 37 1 15 6 7 1 16 6 46 1 17 6 47 1 18 7 8 1 19 7 48 1 20 7 49 1 21 8 9 1 22 9 10 ar 23 9 36 ar 24 10 11 ar 25 10 50 1 26 11 12 1 27 11 19 ar 28 12 13 1 29 13 14 1 30 13 18 1 31 13 51 1 32 14 15 1 33 14 52 1 34 14 53 1 35 15 16 1 36 15 54 1 37 15 55 1 38 16 17 1 39 17 18 1 40 17 56 1 41 17 57 1 42 18 58 1 43 18 59 1 44 19 20 ar 45 19 35 ar 46 20 21 1 47 20 32 ar 48 21 22 1 49 21 60 1 50 22 23 ar 51 22 30 ar 52 23 24 1 53 23 27 ar 54 24 25 1 55 25 26 1 56 25 61 1 57 25 62 1 58 26 27 1 59 27 28 ar 60 28 29 ar 61 28 63 1 62 29 30 ar 63 29 64 1 64 30 31 1 65 32 33 ar 66 33 34 ar 67 33 65 1 68 34 35 ar 69 35 36 ar 70 36 66 1 71 37 38 1 72 37 67 1 73 37 68 1 74 38 69 1 75 38 70 1