@MOLECULE n-{4-[(3ar,9bs)-8-cyano-1,3a,4,9b-tetrahydrochromeno[3,4-c]pyrrol-2(3h)-yl]butyl}-4-biphenylcarboxamide 63 67 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 5.5000 0.0246 0.3596 C.3 1 UNL1 -0.1432 2 C 5.3935 -1.5220 0.3303 C.3 1 UNL1 -0.1963 3 C 7.4768 1.4760 -0.3061 C.ar 1 UNL1 -0.0595 4 C 9.1846 -0.2776 1.0840 C.ar 1 UNL1 -0.2566 5 C 9.7033 0.8422 0.4507 C.ar 1 UNL1 -0.0455 6 C -7.4212 -1.1338 -0.2203 C.ar 1 UNL1 -0.1648 7 C -6.4948 1.0991 -0.0569 C.ar 1 UNL1 -0.1637 8 C -6.1632 -1.6312 -0.5473 C.ar 1 UNL1 -0.0885 9 C -5.2360 0.6021 -0.3819 C.ar 1 UNL1 -0.1186 10 C -9.1056 1.4625 1.5595 C.ar 1 UNL1 -0.1551 11 C -9.9889 0.5585 -0.5043 C.ar 1 UNL1 -0.1508 12 C -10.3657 1.9643 1.8758 C.ar 1 UNL1 -0.1412 13 C -11.2460 1.0653 -0.1852 C.ar 1 UNL1 -0.1405 14 C -11.4357 1.7674 1.0042 C.ar 1 UNL1 -0.1475 15 C 2.1680 -0.0317 -0.3569 C.3 1 UNL1 -0.1153 16 C 1.0595 -1.0784 -0.5778 C.3 1 UNL1 -0.2827 17 C -0.3198 -0.4824 -0.2892 C.3 1 UNL1 -0.3043 18 C -1.3768 -1.6008 -0.3559 C.3 1 UNL1 -0.0598 19 H -2.8535 -0.5203 0.7251 H 1 UNL1 0.3093 20 C 8.8566 1.7150 -0.2462 C.ar 1 UNL1 -0.1106 21 C -7.5881 0.2317 0.0280 C.ar 1 UNL1 0.0156 22 C -5.0743 -0.7623 -0.6157 C.ar 1 UNL1 -0.1346 23 C -8.9156 0.7583 0.3679 C.ar 1 UNL1 -0.0259 24 O -3.5689 -2.0031 -1.9805 O.2 1 UNL1 -0.5192 25 C 4.5607 0.4059 -0.8006 C.3 1 UNL1 -0.1168 26 C 3.8943 -1.7455 0.0893 C.3 1 UNL1 -0.1171 27 C 6.0373 -2.0417 1.5963 C.3 1 UNL1 -0.0536 28 C -3.7485 -1.3273 -0.9875 C.2 1 UNL1 0.5780 29 C 6.9438 0.3631 0.3242 C.ar 1 UNL1 -0.1539 30 C 7.8045 -0.5145 1.0147 C.ar 1 UNL1 0.2753 31 O 7.4170 -1.6438 1.6537 O.3 1 UNL1 -0.3265 32 N -2.7179 -1.0640 -0.1071 N.am 1 UNL1 -0.6082 33 N 3.4609 -0.6093 -0.7879 N.3 1 UNL1 -0.4231 34 C 9.4035 2.8511 -0.8955 C.1 1 UNL1 0.1306 35 N 9.8541 3.7782 -1.4234 N.1 1 UNL1 -0.2579 36 H 5.0665 0.4294 1.3110 H 1 UNL1 0.1556 37 H 5.9580 -1.9188 -0.5534 H 1 UNL1 0.1736 38 H 4.1898 1.4412 -0.7244 H 1 UNL1 0.1348 39 H 5.0697 0.3080 -1.7848 H 1 UNL1 0.1591 40 H 3.6977 -2.6804 -0.4754 H 1 UNL1 0.1527 41 H 3.3324 -1.8025 1.0400 H 1 UNL1 0.1255 42 H 5.5644 -1.6671 2.5210 H 1 UNL1 0.1383 43 H 6.1159 -3.1446 1.6355 H 1 UNL1 0.1529 44 H 6.8266 2.1653 -0.8473 H 1 UNL1 0.1662 45 H 9.8251 -0.9705 1.6263 H 1 UNL1 0.1816 46 H 1.9645 0.8590 -0.9938 H 1 UNL1 0.1436 47 H 2.1717 0.3151 0.6969 H 1 UNL1 0.1116 48 H 10.7758 1.0445 0.4923 H 1 UNL1 0.1653 49 H 1.1122 -1.4469 -1.6236 H 1 UNL1 0.1642 50 H 1.2372 -1.9642 0.0591 H 1 UNL1 0.1376 51 H -0.3352 0.0056 0.7014 H 1 UNL1 0.1360 52 H -0.5606 0.3088 -1.0255 H 1 UNL1 0.1546 53 H -1.3512 -2.0947 -1.3595 H 1 UNL1 0.1761 54 H -1.1555 -2.3923 0.3954 H 1 UNL1 0.1312 55 H -8.2760 -1.8059 -0.1568 H 1 UNL1 0.1628 56 H -6.6338 2.1645 0.1207 H 1 UNL1 0.1611 57 H -6.0264 -2.6932 -0.7601 H 1 UNL1 0.1680 58 H -4.3882 1.2804 -0.4667 H 1 UNL1 0.1552 59 H -8.2700 1.6128 2.2407 H 1 UNL1 0.1548 60 H -9.8378 0.0137 -1.4352 H 1 UNL1 0.1591 61 H -10.5145 2.5109 2.8051 H 1 UNL1 0.1503 62 H -12.0812 0.9132 -0.8666 H 1 UNL1 0.1516 63 H -12.4188 2.1622 1.2519 H 1 UNL1 0.1493 @BOND 1 24 28 2 2 39 25 1 3 49 16 1 4 60 11 1 5 35 34 3 6 53 18 1 7 52 17 1 8 46 15 1 9 28 22 1 10 28 32 am 11 34 20 1 12 62 13 1 13 44 3 1 14 25 33 1 15 25 38 1 16 25 1 1 17 33 15 1 18 33 26 1 19 57 8 1 20 22 8 ar 21 22 9 ar 22 16 15 1 23 16 17 1 24 16 50 1 25 37 2 1 26 8 6 ar 27 11 13 ar 28 11 23 ar 29 40 26 1 30 58 9 1 31 9 7 ar 32 15 47 1 33 18 17 1 34 18 32 1 35 18 54 1 36 3 20 ar 37 3 29 ar 38 17 51 1 39 20 5 ar 40 6 55 1 41 6 21 ar 42 13 14 ar 43 32 19 1 44 7 21 ar 45 7 56 1 46 21 23 1 47 26 2 1 48 26 41 1 49 29 1 1 50 29 30 ar 51 2 1 1 52 2 27 1 53 1 36 1 54 23 10 ar 55 5 48 1 56 5 4 ar 57 14 63 1 58 14 12 ar 59 30 4 ar 60 30 31 1 61 4 45 1 62 10 12 ar 63 10 59 1 64 27 43 1 65 27 31 1 66 27 42 1 67 12 61 1