@MOLECULE 2-(nitrooxy)ethyl (3alpha,16alpha)-eburnamenine-14-carboxylate 55 59 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -2.9999 0.1262 0.5198 C.3 1 UNL1 0.0244 2 C -2.8084 -1.3436 0.0164 C.3 1 UNL1 0.0598 3 C 1.9137 1.1646 0.6959 C.ar 1 UNL1 -0.2036 4 C 0.6220 3.6499 0.1548 C.ar 1 UNL1 -0.1093 5 C 2.6349 2.3383 0.5486 C.ar 1 UNL1 -0.1129 6 C 1.9997 3.5642 0.2774 C.ar 1 UNL1 -0.1762 7 C -3.9817 -2.1741 0.5830 C.3 1 UNL1 -0.2668 8 C 2.8361 -2.6866 0.1722 C.3 1 UNL1 -0.0409 9 C 3.6626 -1.9472 -0.8776 C.3 1 UNL1 -0.0966 10 C -4.0762 -3.5945 0.0312 C.3 1 UNL1 -0.4326 11 O 1.3238 -1.8976 2.2833 O.2 1 UNL1 -0.4372 12 O 5.6695 0.7593 -0.1529 O.2 1 UNL1 -0.3053 13 C -2.7426 -1.3771 -1.5246 C.3 1 UNL1 -0.2770 14 C -2.7110 3.0947 -0.0097 C.3 1 UNL1 -0.2900 15 C -4.0307 2.3100 0.2514 C.3 1 UNL1 -0.1078 16 C -3.9329 0.8150 -1.6735 C.3 1 UNL1 -0.1118 17 C -3.9441 -0.6513 -2.1277 C.3 1 UNL1 -0.2780 18 C 0.8857 -1.7437 1.1790 C.2 1 UNL1 0.5906 19 O 1.5180 -2.1579 0.0493 O.3 1 UNL1 -0.4110 20 O 4.3710 -0.9744 -0.0969 O.2 1 UNL1 -0.3022 21 C -0.4117 -1.1371 0.7670 C.2 1 UNL1 0.0583 22 C -1.5512 2.2190 0.2471 C.ar 1 UNL1 -0.1065 23 C -1.4942 -1.8977 0.5108 C.2 1 UNL1 -0.2011 24 O 5.1629 -0.2202 -2.0421 O.2 1 UNL1 -0.3740 25 N 5.1334 -0.0643 -0.8458 N.pl3 1 UNL1 0.7226 26 C 0.5257 1.2422 0.5667 C.ar 1 UNL1 0.1216 27 C -0.1383 2.4899 0.2995 C.ar 1 UNL1 -0.0681 28 C -1.7105 0.8699 0.4702 C.ar 1 UNL1 0.0304 29 N -4.0529 0.8921 -0.1976 N.3 1 UNL1 -0.4180 30 N -0.4679 0.2555 0.6859 N.ar 1 UNL1 -0.2691 31 H -3.3422 0.0775 1.5969 H 1 UNL1 0.1662 32 H -1.4556 -2.9813 0.6085 H 1 UNL1 0.1761 33 H -1.8033 -0.8955 -1.8653 H 1 UNL1 0.1499 34 H -2.6926 -2.4198 -1.8857 H 1 UNL1 0.1443 35 H -2.6853 3.4721 -1.0523 H 1 UNL1 0.1527 36 H -2.6834 3.9955 0.6361 H 1 UNL1 0.1582 37 H -4.2451 2.3101 1.3432 H 1 UNL1 0.1464 38 H -4.8802 2.8309 -0.2371 H 1 UNL1 0.1401 39 H -3.8983 -2.2102 1.6874 H 1 UNL1 0.1419 40 H -4.9298 -1.6326 0.3741 H 1 UNL1 0.1608 41 H -3.0160 1.3183 -2.0527 H 1 UNL1 0.1292 42 H -4.8071 1.3513 -2.1038 H 1 UNL1 0.1362 43 H 2.4133 0.2254 0.9147 H 1 UNL1 0.1670 44 H -3.9177 -0.7045 -3.2306 H 1 UNL1 0.1355 45 H -4.8886 -1.1373 -1.8154 H 1 UNL1 0.1521 46 H 0.1310 4.5981 -0.0478 H 1 UNL1 0.1517 47 H 3.7211 2.3177 0.6493 H 1 UNL1 0.1578 48 H 2.6101 4.4580 0.1672 H 1 UNL1 0.1506 49 H -3.1391 -4.1479 0.1508 H 1 UNL1 0.1405 50 H -4.8580 -4.1610 0.5509 H 1 UNL1 0.1400 51 H -4.3313 -3.5978 -1.0346 H 1 UNL1 0.1427 52 H 2.7403 -3.7640 -0.0533 H 1 UNL1 0.1490 53 H 3.2415 -2.5605 1.1982 H 1 UNL1 0.1754 54 H 4.3857 -2.6001 -1.3947 H 1 UNL1 0.1475 55 H 3.0204 -1.4423 -1.6292 H 1 UNL1 0.1764 @BOND 1 44 17 1 2 17 45 1 3 17 16 1 4 17 13 1 5 42 16 1 6 41 16 1 7 24 25 2 8 34 13 1 9 33 13 1 10 16 29 1 11 55 9 1 12 13 2 1 13 54 9 1 14 35 14 1 15 51 10 1 16 9 20 1 17 9 8 1 18 25 12 2 19 25 20 1 20 38 15 1 21 29 15 1 22 29 1 1 23 52 8 1 24 46 4 1 25 14 22 1 26 14 15 1 27 14 36 1 28 2 23 1 29 2 1 1 30 2 7 1 31 10 49 1 32 10 50 1 33 10 7 1 34 19 8 1 35 19 18 1 36 4 6 ar 37 4 27 ar 38 48 6 1 39 8 53 1 40 22 27 ar 41 22 28 ar 42 15 37 1 43 6 5 ar 44 27 26 ar 45 40 7 1 46 28 1 1 47 28 30 ar 48 23 32 1 49 23 21 2 50 1 31 1 51 5 47 1 52 5 3 ar 53 26 30 ar 54 26 3 ar 55 7 39 1 56 30 21 1 57 3 43 1 58 21 18 1 59 18 11 2