@MOLECULE l-(-)-tryptophanol 28 29 0 0 0 SMALL USER_CHARGES @ATOM 1 O -3.5886 1.1898 0.2430 O.3 1 TRP11111111 -0.5345 2 NE1 1.2038 2.0213 -0.1616 N.ar 1 TRP11111111 -0.3800 3 N -3.3593 -1.7706 -0.1610 N.3 1 TRP11111111 -0.6610 4 CB -1.4119 -0.4908 -0.9207 C.3 1 TRP11111111 -0.2669 5 CG -0.1995 0.2682 -0.5515 C.ar 1 TRP11111111 -0.1072 6 CA -2.2715 -0.8849 0.3034 C.3 1 TRP11111111 0.0280 7 CD2 1.1020 -0.2603 -0.2381 C.ar 1 TRP11111111 -0.0805 8 CE2 1.9589 0.8628 0.0067 C.ar 1 TRP11111111 0.1059 9 CD1 -0.1015 1.6507 -0.5015 C.ar 1 TRP11111111 -0.0429 10 C -2.7879 0.3624 1.0597 C.3 1 TRP11111111 -0.0676 11 CE3 1.6373 -1.5494 -0.1532 C.ar 1 TRP11111111 -0.1018 12 CZ2 3.3107 0.7135 0.3457 C.ar 1 TRP11111111 -0.2211 13 CZ3 2.9731 -1.6952 0.1745 C.ar 1 TRP11111111 -0.2009 14 CH2 3.7978 -0.5767 0.4250 C.ar 1 TRP11111111 -0.1135 15 HB1 -1.1340 -1.4197 -1.4685 H 1 TRP11111111 0.1671 16 HB2 -2.0334 0.1028 -1.6279 H 1 TRP11111111 0.1574 17 HA -1.6394 -1.4854 1.0115 H 1 TRP11111111 0.1523 18 HD1 -0.8628 2.3880 -0.6808 H 1 TRP11111111 0.1756 19 H1 -3.3546 0.0884 1.9653 H 1 TRP11111111 0.1126 20 H2 -1.9515 1.0323 1.3394 H 1 TRP11111111 0.1584 21 HE1 1.5375 2.9499 -0.0603 H 1 TRP11111111 0.3129 22 HE3 1.0045 -2.4133 -0.3452 H 1 TRP11111111 0.1557 23 HZ2 3.9398 1.5764 0.5324 H 1 TRP11111111 0.1550 24 H1 -3.8857 -1.3752 -0.9193 H 1 TRP11111111 0.2490 25 H2 -3.9822 -2.0386 0.5813 H 1 TRP11111111 0.2493 26 HZ3 3.4100 -2.6890 0.2426 H 1 TRP11111111 0.1500 27 HH2 4.8429 -0.7469 0.6880 H 1 TRP11111111 0.1479 28 H -4.3953 0.7218 -0.0388 H 1 TRP11111111 0.3007 @BOND 1 16 4 1 2 15 4 1 3 24 3 1 4 4 5 1 5 4 6 1 6 18 9 1 7 5 9 ar 8 5 7 ar 9 9 2 ar 10 22 11 1 11 7 11 ar 12 7 8 ar 13 2 21 1 14 2 8 ar 15 3 6 1 16 3 25 1 17 11 13 ar 18 28 1 1 19 8 12 ar 20 13 26 1 21 13 14 ar 22 1 10 1 23 6 17 1 24 6 10 1 25 12 14 ar 26 12 23 1 27 14 27 1 28 10 20 1 29 10 19 1