@MOLECULE (2s)-2-(4-sec-butylphenyl)propanenitrile 31 31 0 0 0 SMALL GASTEIGER @ATOM 1 N -3.8432 1.9370 -0.5110 N.1 1 UNL1111111111 -0.2603 2 C 2.9084 -0.3891 0.1221 C.3 1 UNL1111111111 -0.1031 3 C 1.4034 -0.3620 0.1745 C.ar 1 UNL1111111111 0.0216 4 C 3.4837 0.9112 -0.4745 C.3 1 UNL1111111111 -0.2554 5 C 3.3677 -1.5961 -0.7086 C.3 1 UNL1111111111 -0.4492 6 C -1.3959 -0.3338 0.3108 C.ar 1 UNL1111111111 -0.0365 7 C 0.7526 -0.4904 1.4043 C.ar 1 UNL1111111111 -0.1766 8 C 0.6396 -0.2254 -0.9870 C.ar 1 UNL1111111111 -0.1670 9 C -2.9024 -0.3192 0.4025 C.3 1 UNL1111111111 -0.0806 10 C -0.6381 -0.4748 1.4727 C.ar 1 UNL1111111111 -0.1497 11 C -0.7496 -0.2085 -0.9210 C.ar 1 UNL1111111111 -0.1433 12 C 3.1686 2.1287 0.3938 C.3 1 UNL1111111111 -0.4403 13 C -3.5142 -1.4841 -0.3906 C.3 1 UNL1111111111 -0.4350 14 C -3.4244 0.9378 -0.1064 C.1 1 UNL1111111111 0.1082 15 H 3.3161 -0.5004 1.1605 H 1 UNL1111111111 0.1419 16 H 3.0898 1.0710 -1.4944 H 1 UNL1111111111 0.1393 17 H 4.5805 0.8046 -0.5855 H 1 UNL1111111111 0.1366 18 H 3.0550 -1.5164 -1.7559 H 1 UNL1111111111 0.1481 19 H 4.4583 -1.6940 -0.6958 H 1 UNL1111111111 0.1460 20 H 2.9463 -2.5277 -0.3137 H 1 UNL1111111111 0.1486 21 H 1.3306 -0.6048 2.3200 H 1 UNL1111111111 0.1537 22 H 1.1314 -0.1277 -1.9500 H 1 UNL1111111111 0.1562 23 H -3.2153 -0.4236 1.4843 H 1 UNL1111111111 0.1742 24 H -1.1266 -0.5694 2.4414 H 1 UNL1111111111 0.1522 25 H -1.3351 -0.0924 -1.8372 H 1 UNL1111111111 0.1576 26 H 3.6333 3.0350 -0.0125 H 1 UNL1111111111 0.1431 27 H 2.0871 2.3069 0.4516 H 1 UNL1111111111 0.1527 28 H 3.5337 1.9991 1.4181 H 1 UNL1111111111 0.1416 29 H -3.1061 -2.4420 -0.0451 H 1 UNL1111111111 0.1612 30 H -3.2999 -1.4075 -1.4640 H 1 UNL1111111111 0.1588 31 H -4.6043 -1.5184 -0.2763 H 1 UNL1111111111 0.1556 @BOND 1 1 14 3 2 2 3 1 3 2 4 1 4 2 5 1 5 2 15 1 6 3 7 ar 7 3 8 ar 8 4 12 1 9 4 16 1 10 4 17 1 11 5 18 1 12 5 19 1 13 5 20 1 14 6 9 1 15 6 10 ar 16 6 11 ar 17 7 10 ar 18 7 21 1 19 8 11 ar 20 8 22 1 21 9 13 1 22 9 14 1 23 9 23 1 24 10 24 1 25 11 25 1 26 12 26 1 27 12 27 1 28 12 28 1 29 13 29 1 30 13 30 1 31 13 31 1