@MOLECULE homaline 78 81 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 5.6265 0.3664 -0.2362 C.3 1 UNL1 0.0531 2 C -5.6264 0.3660 0.2365 C.3 1 UNL1 0.0531 3 C 7.5175 1.9183 -0.8076 C.ar 1 UNL1 -0.1635 4 C -7.5171 1.9184 0.8082 C.ar 1 UNL1 -0.1635 5 C 7.9778 0.0416 0.6442 C.ar 1 UNL1 -0.1484 6 C -7.9778 0.0418 -0.6436 C.ar 1 UNL1 -0.1485 7 C 8.8476 2.3221 -0.7022 C.ar 1 UNL1 -0.1420 8 C -8.8468 2.3231 0.7018 C.ar 1 UNL1 -0.1419 9 C 9.3056 0.4465 0.7463 C.ar 1 UNL1 -0.1498 10 C -9.3052 0.4475 -0.7466 C.ar 1 UNL1 -0.1498 11 C 9.7421 1.5868 0.0722 C.ar 1 UNL1 -0.1546 12 C -9.7411 1.5886 -0.0735 C.ar 1 UNL1 -0.1546 13 C 1.3253 -0.4966 1.4135 C.3 1 UNL1 -0.0574 14 C -1.3250 -0.4960 -1.4126 C.3 1 UNL1 -0.0574 15 C 0.7641 -0.3917 -0.0180 C.3 1 UNL1 -0.3090 16 C -0.7641 -0.3914 0.0190 C.3 1 UNL1 -0.3090 17 C 6.4192 -1.3817 -1.7864 C.3 1 UNL1 -0.2770 18 C -6.4211 -1.3834 1.7841 C.3 1 UNL1 -0.2770 19 C 7.0816 0.7752 -0.1372 C.ar 1 UNL1 -0.0266 20 C -7.0814 0.7754 0.1376 C.ar 1 UNL1 -0.0266 21 O 2.9229 1.6040 0.9359 O.2 1 UNL1 -0.5421 22 O -2.9222 1.6041 -0.9344 O.2 1 UNL1 -0.5421 23 C 5.0232 0.5167 1.1829 C.3 1 UNL1 -0.3774 24 C -5.0226 0.5173 -1.1823 C.3 1 UNL1 -0.3774 25 C 4.0879 -1.3431 -1.1080 C.3 1 UNL1 -0.1131 26 C -4.0892 -1.3451 1.1077 C.3 1 UNL1 -0.1130 27 C 3.3882 -1.9149 1.3005 C.3 1 UNL1 -0.0585 28 C -3.3883 -1.9145 -1.3013 C.3 1 UNL1 -0.0584 29 C 3.4949 -2.4010 -0.1594 C.3 1 UNL1 -0.3085 30 C -3.4956 -2.4018 0.1581 C.3 1 UNL1 -0.3085 31 C 3.5132 0.5612 1.1461 C.2 1 UNL1 0.5839 32 C -3.5128 0.5615 -1.1451 C.2 1 UNL1 0.5839 33 N 5.4842 -1.0485 -0.6895 N.3 1 UNL1 -0.4313 34 N -5.4851 -1.0494 0.6884 N.3 1 UNL1 -0.4313 35 N 2.7933 -0.5864 1.4621 N.am 1 UNL1 -0.5016 36 N -2.7930 -0.5860 -1.4614 N.am 1 UNL1 -0.5016 37 H 5.0861 1.0680 -0.9304 H 1 UNL1 0.1385 38 H -5.0858 1.0668 0.9314 H 1 UNL1 0.1386 39 H 5.4065 -0.2837 1.8446 H 1 UNL1 0.1754 40 H 5.3793 1.4745 1.6269 H 1 UNL1 0.1844 41 H -5.4058 -0.2828 -1.8445 H 1 UNL1 0.1754 42 H -5.3786 1.4753 -1.6259 H 1 UNL1 0.1844 43 H 4.0434 -1.7307 -2.1488 H 1 UNL1 0.1275 44 H 3.4470 -0.4339 -1.1138 H 1 UNL1 0.1406 45 H -4.0460 -1.7345 2.1479 H 1 UNL1 0.1276 46 H -3.4479 -0.4362 1.1154 H 1 UNL1 0.1406 47 H 6.8225 2.5013 -1.4104 H 1 UNL1 0.1567 48 H -6.8222 2.5006 1.4119 H 1 UNL1 0.1567 49 H 7.6333 -0.8539 1.1618 H 1 UNL1 0.1629 50 H -7.6336 -0.8543 -1.1605 H 1 UNL1 0.1630 51 H 2.7928 -2.6456 1.8927 H 1 UNL1 0.1330 52 H 4.4103 -1.9090 1.7514 H 1 UNL1 0.1547 53 H -2.7930 -2.6448 -1.8940 H 1 UNL1 0.1330 54 H -4.4104 -1.9078 -1.7524 H 1 UNL1 0.1547 55 H 1.0214 0.4109 1.9932 H 1 UNL1 0.1641 56 H 0.8978 -1.3776 1.9374 H 1 UNL1 0.1289 57 H -1.0212 0.4120 -1.9916 H 1 UNL1 0.1641 58 H -0.8972 -1.3765 -1.9369 H 1 UNL1 0.1289 59 H 2.5026 -2.7106 -0.5336 H 1 UNL1 0.1359 60 H 4.1331 -3.3065 -0.1796 H 1 UNL1 0.1510 61 H -2.5033 -2.7115 0.5325 H 1 UNL1 0.1359 62 H -4.1334 -3.3076 0.1772 H 1 UNL1 0.1510 63 H 7.4577 -1.3207 -1.4191 H 1 UNL1 0.1552 64 H 6.2577 -2.4293 -2.0901 H 1 UNL1 0.1437 65 H 6.3300 -0.7341 -2.6709 H 1 UNL1 0.1236 66 H -7.4595 -1.3205 1.4165 H 1 UNL1 0.1552 67 H -6.2611 -2.4319 2.0857 H 1 UNL1 0.1437 68 H -6.3315 -0.7378 2.6700 H 1 UNL1 0.1236 69 H 9.1861 3.2144 -1.2252 H 1 UNL1 0.1497 70 H -9.1850 3.2156 1.2246 H 1 UNL1 0.1497 71 H 10.0033 -0.1265 1.3529 H 1 UNL1 0.1469 72 H -10.0029 -0.1254 -1.3534 H 1 UNL1 0.1469 73 H 1.1340 0.5455 -0.4860 H 1 UNL1 0.1700 74 H 1.1387 -1.2213 -0.6412 H 1 UNL1 0.1334 75 H -1.1337 0.5460 0.4870 H 1 UNL1 0.1701 76 H -1.1393 -1.2208 0.6421 H 1 UNL1 0.1334 77 H 10.7796 1.9026 0.1536 H 1 UNL1 0.1475 78 H -10.7783 1.9053 -0.1560 H 1 UNL1 0.1475 @BOND 1 65 17 1 2 43 25 1 3 64 17 1 4 57 14 1 5 58 14 1 6 53 28 1 7 41 24 1 8 17 63 1 9 17 33 1 10 54 28 1 11 42 24 1 12 36 14 1 13 36 28 1 14 36 32 am 15 14 16 1 16 47 3 1 17 72 10 1 18 28 30 1 19 69 7 1 20 24 32 1 21 24 2 1 22 50 6 1 23 32 22 2 24 44 25 1 25 25 33 1 26 25 29 1 27 37 1 1 28 3 7 ar 29 3 19 ar 30 10 6 ar 31 10 12 ar 32 7 11 ar 33 33 1 1 34 6 20 ar 35 74 15 1 36 59 29 1 37 73 15 1 38 1 19 1 39 1 23 1 40 60 29 1 41 29 27 1 42 78 12 1 43 19 5 ar 44 12 8 ar 45 15 16 1 46 15 13 1 47 16 75 1 48 16 76 1 49 11 77 1 50 11 9 ar 51 20 2 1 52 20 4 ar 53 30 62 1 54 30 61 1 55 30 26 1 56 2 34 1 57 2 38 1 58 5 9 ar 59 5 49 1 60 34 26 1 61 34 18 1 62 8 4 ar 63 8 70 1 64 9 71 1 65 4 48 1 66 21 31 2 67 26 46 1 68 26 45 1 69 31 23 1 70 31 35 am 71 23 40 1 72 23 39 1 73 27 35 1 74 27 52 1 75 27 51 1 76 13 35 1 77 13 56 1 78 13 55 1 79 66 18 1 80 18 67 1 81 18 68 1