@MOLECULE (1s,8s)-16,16-diethoxy-15,15-dimethyl-2-azoniatetracyclo[6.6.2.0~2,7~.0~9,14~]hexadeca-2,4,6,9,11,13-hexaene 50 53 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.0249 1.8552 -0.1206 O.3 1 UNL1111 -0.4456 2 O 1.1966 1.7142 0.4834 O.3 1 UNL1111 -0.4530 3 N 1.0140 -1.7320 -0.3040 N.ar 1 UNL1111 -0.2902 4 C 0.2802 0.3722 -1.4201 C.3 1 UNL1111 0.0122 5 C 0.0834 1.0146 0.0056 C.3 1 UNL1111 0.4318 6 C 0.0313 -1.1800 -1.2614 C.3 1 UNL1111 0.0376 7 C -0.1182 -0.1096 1.0956 C.3 1 UNL1111 -0.1993 8 C -1.3154 -1.3735 -0.5982 C.ar 1 UNL1111 -0.0452 9 C 1.0391 -1.0552 0.9294 C.ar 1 UNL1111 0.0677 10 C -1.3786 -0.8233 0.6953 C.ar 1 UNL1111 0.0141 11 C -0.7250 0.9235 -2.4291 C.3 1 UNL1111 -0.4498 12 C 1.7005 0.5877 -1.9368 C.3 1 UNL1111 -0.4571 13 C 2.1388 -2.4369 -0.7177 C.ar 1 UNL1111 -0.0854 14 C -2.4042 -2.0312 -1.1423 C.ar 1 UNL1111 -0.1397 15 C 2.0696 -1.2474 1.8157 C.ar 1 UNL1111 -0.1363 16 C -2.5262 -0.9521 1.4600 C.ar 1 UNL1111 -0.1608 17 C -1.5542 2.4149 1.0787 C.3 1 UNL1111 -0.0096 18 C 1.3861 3.0353 -0.0155 C.3 1 UNL1111 0.0062 19 C 3.1823 -2.6363 0.1661 C.ar 1 UNL1111 -0.1347 20 C -3.5724 -2.1379 -0.3795 C.ar 1 UNL1111 -0.1526 21 C 3.1576 -2.0650 1.4485 C.ar 1 UNL1111 -0.2400 22 C -3.6299 -1.6104 0.9074 C.ar 1 UNL1111 -0.1355 23 C -2.3599 3.6189 0.6043 C.3 1 UNL1111 -0.4582 24 C 2.8931 3.2572 0.0463 C.3 1 UNL1111 -0.4644 25 H 0.1115 -1.6925 -2.2439 H 1 UNL1111 0.1565 26 H -0.1498 0.3284 2.1119 H 1 UNL1111 0.1743 27 H -0.6345 2.0130 -2.5260 H 1 UNL1111 0.1584 28 H -0.5822 0.4856 -3.4218 H 1 UNL1111 0.1451 29 H -1.7609 0.7283 -2.1155 H 1 UNL1111 0.1658 30 H 2.4474 0.3795 -1.1545 H 1 UNL1111 0.1743 31 H 1.9226 -0.0640 -2.7885 H 1 UNL1111 0.1462 32 H 1.8614 1.6202 -2.2649 H 1 UNL1111 0.1522 33 H 2.1215 -2.8449 -1.7216 H 1 UNL1111 0.1540 34 H -2.3570 -2.4607 -2.1394 H 1 UNL1111 0.1528 35 H 2.0603 -0.7593 2.7864 H 1 UNL1111 0.1563 36 H -2.5723 -0.5561 2.4708 H 1 UNL1111 0.1540 37 H -2.1983 1.6489 1.5483 H 1 UNL1111 0.1237 38 H -0.7434 2.6977 1.7715 H 1 UNL1111 0.1268 39 H 0.9780 3.1420 -1.0335 H 1 UNL1111 0.1243 40 H 0.8389 3.7153 0.6620 H 1 UNL1111 0.1175 41 H 4.0341 -3.2408 -0.1367 H 1 UNL1111 0.1476 42 H -4.4399 -2.6439 -0.7967 H 1 UNL1111 0.1461 43 H 3.9694 -2.2323 2.1407 H 1 UNL1111 0.1479 44 H -4.5414 -1.7094 1.4932 H 1 UNL1111 0.1450 45 H -2.8700 4.1091 1.4389 H 1 UNL1111 0.1467 46 H -1.7182 4.3571 0.1094 H 1 UNL1111 0.1517 47 H -3.1192 3.3139 -0.1285 H 1 UNL1111 0.1589 48 H 3.1535 4.2935 -0.1859 H 1 UNL1111 0.1453 49 H 3.2778 3.0221 1.0487 H 1 UNL1111 0.1618 50 H 3.4230 2.6009 -0.6541 H 1 UNL1111 0.1547 @BOND 1 1 5 1 2 1 17 1 3 2 5 1 4 2 18 1 5 3 6 1 6 3 9 ar 7 3 13 ar 8 4 5 1 9 4 6 1 10 4 11 1 11 4 12 1 12 5 7 1 13 6 8 1 14 6 25 1 15 7 9 1 16 7 10 1 17 7 26 1 18 8 10 ar 19 8 14 ar 20 9 15 ar 21 10 16 ar 22 11 27 1 23 11 28 1 24 11 29 1 25 12 30 1 26 12 31 1 27 12 32 1 28 13 19 ar 29 13 33 1 30 14 20 ar 31 14 34 1 32 15 21 ar 33 15 35 1 34 16 22 ar 35 16 36 1 36 17 23 1 37 17 37 1 38 17 38 1 39 18 24 1 40 18 39 1 41 18 40 1 42 19 21 ar 43 19 41 1 44 20 22 ar 45 20 42 1 46 21 43 1 47 22 44 1 48 23 45 1 49 23 46 1 50 23 47 1 51 24 48 1 52 24 49 1 53 24 50 1