@MOLECULE ***** 73 76 0 0 0 SMALL GASTEIGER @ATOM 1 C -5.4470 -1.6320 -0.5040 C.2 1 UNL1 0.3117 2 C -7.4050 -2.5310 -1.5240 C.3 1 UNL1 0.0897 3 C -2.3510 -0.5600 -0.5950 C.ar 1 UNL1 0.2583 4 C 0.9070 -1.5130 -0.8890 C.ar 1 UNL1 -0.0563 5 C 1.9960 -2.0590 -0.2410 C.ar 1 UNL1 -0.0537 6 C 2.9570 -1.2230 0.3260 C.ar 1 UNL1 -0.0172 7 C 1.7160 0.6950 -0.4130 C.ar 1 UNL1 -0.0563 8 C 3.9510 -2.7850 1.9930 C.ar 1 UNL1 -0.0534 9 C 6.3240 -2.8960 2.3280 C.ar 1 UNL1 -0.0611 10 C -1.1500 6.4690 0.9970 C.3 1 UNL1 -0.0653 11 C -0.5830 5.2680 0.2370 C.3 1 UNL1 -0.0555 12 C -1.4900 4.0550 0.4500 C.3 1 UNL1 -0.0465 13 C -0.9220 2.8540 -0.3100 C.3 1 UNL1 0.0057 14 C -1.8160 1.6590 -0.1010 C.ar 1 UNL1 0.1129 15 C -3.6430 0.7210 0.9460 C.ar 1 UNL1 0.0547 16 C -3.4380 -0.4600 0.2990 C.ar 1 UNL1 0.0492 17 C -4.3530 -1.6340 0.5320 C.3 1 UNL1 0.0769 18 C -8.3730 -3.7030 -1.3540 C.3 1 UNL1 -0.0306 19 C -0.4210 0.4500 -1.6920 C.3 1 UNL1 0.0528 20 C 0.7680 -0.1400 -0.9770 C.ar 1 UNL1 -0.0276 21 C 2.8120 0.1600 0.2330 C.ar 1 UNL1 -0.0537 22 C 4.1290 -1.8030 1.0230 C.ar 1 UNL1 -0.0072 23 C 5.0450 -3.3230 2.6410 C.ar 1 UNL1 -0.0611 24 C 6.5200 -1.9200 1.3720 C.ar 1 UNL1 -0.0504 25 C 5.4270 -1.3660 0.7090 C.ar 1 UNL1 0.0283 26 C 5.6310 -0.3190 -0.3160 C.ar 1 UNL1 0.1834 27 C 6.5150 1.1280 -1.6650 C.ar 1 UNL1 0.4401 28 C -4.7940 0.8640 1.9070 C.3 1 UNL1 -0.0038 29 C -4.2680 1.3210 3.2690 C.3 1 UNL1 -0.0572 30 C -5.7820 1.9020 1.3680 C.3 1 UNL1 -0.0572 31 N -2.8220 1.7520 0.7260 N.ar 1 UNL1 -0.2379 32 N -1.5590 0.5190 -0.7720 N.ar 1 UNL1 -0.2920 33 N 4.7060 0.2800 -1.0060 N.ar 1 UNL1 -0.0542 34 N 6.8470 0.2170 -0.7200 N.ar 1 UNL1 -0.2713 35 O -5.4800 -0.7660 -1.3460 O.2 1 UNL1 -0.2505 36 O -6.3810 -2.5960 -0.4960 O.3 1 UNL1 -0.4647 37 O -2.1290 -1.6010 -1.1910 O.2 1 UNL1 -0.2673 38 O 5.1770 1.0920 -1.7690 O.2 1 UNL1 -0.2952 39 O 7.2770 1.8370 -2.2940 O.2 1 UNL1 -0.2209 40 H -6.9370 -2.5860 -2.5070 H 1 UNL1 0.0694 41 H -7.9510 -1.5920 -1.4330 H 1 UNL1 0.0694 42 H 0.1640 -2.1600 -1.3320 H 1 UNL1 0.0621 43 H 2.1030 -3.1320 -0.1720 H 1 UNL1 0.0624 44 H 1.6020 1.7660 -0.4850 H 1 UNL1 0.0621 45 H 2.9560 -3.1230 2.2430 H 1 UNL1 0.0624 46 H 7.1740 -3.3230 2.8410 H 1 UNL1 0.0618 47 H -0.5040 7.3330 0.8460 H 1 UNL1 0.0230 48 H -2.1500 6.6940 0.6270 H 1 UNL1 0.0230 49 H -1.2010 6.2350 2.0600 H 1 UNL1 0.0230 50 H -0.5320 5.5020 -0.8260 H 1 UNL1 0.0263 51 H 0.4170 5.0430 0.6080 H 1 UNL1 0.0263 52 H -1.5410 3.8210 1.5130 H 1 UNL1 0.0269 53 H -2.4900 4.2800 0.0790 H 1 UNL1 0.0269 54 H -0.8720 3.0880 -1.3740 H 1 UNL1 0.0343 55 H 0.0780 2.6290 0.0600 H 1 UNL1 0.0343 56 H -4.7940 -1.5590 1.5260 H 1 UNL1 0.0429 57 H -3.7820 -2.5600 0.4560 H 1 UNL1 0.0429 58 H -7.8260 -4.6420 -1.4440 H 1 UNL1 0.0262 59 H -8.8410 -3.6480 -0.3710 H 1 UNL1 0.0262 60 H -9.1410 -3.6540 -2.1260 H 1 UNL1 0.0262 61 H -0.1740 1.4530 -2.0400 H 1 UNL1 0.0543 62 H -0.6800 -0.1770 -2.5440 H 1 UNL1 0.0543 63 H 3.5540 0.8120 0.6700 H 1 UNL1 0.0624 64 H 4.9030 -4.0820 3.3960 H 1 UNL1 0.0618 65 H 7.5210 -1.5910 1.1330 H 1 UNL1 0.0625 66 H -5.2990 -0.0960 2.0150 H 1 UNL1 0.0359 67 H -3.7630 2.2810 3.1610 H 1 UNL1 0.0236 68 H -5.1010 1.4240 3.9640 H 1 UNL1 0.0236 69 H -3.5640 0.5820 3.6530 H 1 UNL1 0.0236 70 H -5.2780 2.8620 1.2600 H 1 UNL1 0.0236 71 H -6.1570 1.5770 0.3980 H 1 UNL1 0.0236 72 H -6.6150 2.0050 2.0640 H 1 UNL1 0.0236 73 H 7.7330 -0.0120 -0.3990 H 1 UNL1 0.1736 @BOND 1 18 2 1 2 2 36 1 3 39 27 2 4 27 38 ar 5 27 34 ar 6 38 33 ar 7 35 1 2 8 36 1 1 9 1 17 1 10 33 26 ar 11 34 26 ar 12 17 16 1 13 26 25 1 14 37 3 2 15 16 3 ar 16 16 15 ar 17 3 32 ar 18 25 24 ar 19 25 22 ar 20 24 9 ar 21 30 28 1 22 28 15 1 23 28 29 1 24 5 4 ar 25 5 6 ar 26 4 20 ar 27 15 31 ar 28 22 6 1 29 22 8 ar 30 9 23 ar 31 6 21 ar 32 32 19 1 33 32 14 ar 34 20 19 1 35 20 7 ar 36 21 7 ar 37 8 23 ar 38 31 14 ar 39 14 13 1 40 13 12 1 41 12 11 1 42 11 10 1 43 2 40 1 44 2 41 1 45 4 42 1 46 5 43 1 47 7 44 1 48 8 45 1 49 9 46 1 50 10 47 1 51 10 48 1 52 10 49 1 53 11 50 1 54 11 51 1 55 12 52 1 56 12 53 1 57 13 54 1 58 13 55 1 59 17 56 1 60 17 57 1 61 18 58 1 62 18 59 1 63 18 60 1 64 19 61 1 65 19 62 1 66 21 63 1 67 23 64 1 68 24 65 1 69 28 66 1 70 29 67 1 71 29 68 1 72 29 69 1 73 30 70 1 74 30 71 1 75 30 72 1 76 34 73 1