@MOLECULE (3s,6s)-3,6-bis[(5-hydroxy-1h-indol-3-yl)methyl]-2,5-piperazinedione 50 54 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.7168 -4.3093 1.3134 O.2 1 UNL1111111111 -0.5219 2 O 2.0065 -1.4580 -2.0427 O.2 1 UNL1111111111 -0.5001 3 O -3.5986 2.1414 2.7939 O.3 1 UNL1111111111 -0.4749 4 O 0.3679 3.6953 -0.1532 O.3 1 UNL1111111111 -0.4758 5 N 0.0408 -1.7382 -0.9921 N.am 1 UNL1111111111 -0.6016 6 N 1.3054 -3.5276 0.7225 N.am 1 UNL1111111111 -0.6074 7 N -3.6415 0.1831 -2.3101 N.ar 1 UNL1111111111 -0.3533 8 N 5.0626 0.8903 0.0168 N.ar 1 UNL1111111111 -0.3561 9 CA 2.1235 -2.4542 0.1562 C.3 1 UNL1111111111 0.0180 10 CA -0.7037 -2.1652 0.1949 C.3 1 UNL1111111111 0.0305 11 C 2.3987 -1.3736 1.2326 C.3 1 UNL1111111111 -0.2691 12 C -2.1805 -2.4473 -0.1538 C.3 1 UNL1111111111 -0.2659 13 C -0.0686 -3.4309 0.7882 C.2 1 UNL1111111111 0.5497 14 C 1.4125 -1.8313 -1.0564 C.2 1 UNL1111111111 0.5626 15 C -2.7983 -1.2581 -0.7696 C.ar 1 UNL1111111111 -0.1417 16 C 3.2501 -0.2907 0.7108 C.ar 1 UNL1111111111 -0.1488 17 C 2.7985 1.0186 0.3320 C.ar 1 UNL1111111111 0.0173 18 C -3.1774 -0.0560 -0.0853 C.ar 1 UNL1111111111 0.0033 19 C -3.0952 -1.0817 -2.1173 C.ar 1 UNL1111111111 -0.0301 20 C 4.6242 -0.3365 0.5017 C.ar 1 UNL1111111111 -0.0168 21 C 3.9572 1.7393 -0.1053 C.ar 1 UNL1111111111 0.0307 22 C -3.7096 0.8314 -1.0738 C.ar 1 UNL1111111111 0.0266 23 C 1.5475 1.6491 0.3269 C.ar 1 UNL1111111111 -0.2916 24 C -3.1226 0.3526 1.2524 C.ar 1 UNL1111111111 -0.2980 25 C 3.8913 3.0685 -0.5509 C.ar 1 UNL1111111111 -0.1394 26 C -4.1979 2.1069 -0.7539 C.ar 1 UNL1111111111 -0.1380 27 C -3.6068 1.6159 1.5390 C.ar 1 UNL1111111111 0.2614 28 C 1.5149 2.9613 -0.1093 C.ar 1 UNL1111111111 0.2682 29 C 2.6561 3.6787 -0.5514 C.ar 1 UNL1111111111 -0.2061 30 C -4.1461 2.4990 0.5669 C.ar 1 UNL1111111111 -0.2082 31 HA -0.6599 -1.3533 0.9756 H 1 UNL1111111111 0.1599 32 HA 3.0991 -2.8852 -0.1991 H 1 UNL1111111111 0.1719 33 H 1.4400 -0.9607 1.6139 H 1 UNL1111111111 0.1596 34 H 2.8739 -1.8557 2.1143 H 1 UNL1111111111 0.1578 35 H -2.2588 -3.3379 -0.8130 H 1 UNL1111111111 0.1690 36 H -2.7212 -2.7441 0.7759 H 1 UNL1111111111 0.1812 37 H -0.4864 -1.3061 -1.7391 H 1 UNL1111111111 0.3351 38 H 1.7771 -4.3233 1.1215 H 1 UNL1111111111 0.3242 39 H 5.3087 -1.1501 0.6585 H 1 UNL1111111111 0.1620 40 H -2.9606 -1.7646 -2.9363 H 1 UNL1111111111 0.1693 41 H -3.9532 0.5622 -3.1723 H 1 UNL1111111111 0.3140 42 H 5.9905 1.1169 -0.2515 H 1 UNL1111111111 0.3114 43 H 0.6549 1.1187 0.6388 H 1 UNL1111111111 0.1651 44 H -2.7311 -0.3127 2.0114 H 1 UNL1111111111 0.1679 45 H -4.6061 2.7571 -1.5171 H 1 UNL1111111111 0.1607 46 H 4.7818 3.5904 -0.8858 H 1 UNL1111111111 0.1568 47 H 2.5253 4.7062 -0.8854 H 1 UNL1111111111 0.1760 48 H -4.5085 3.4721 0.8945 H 1 UNL1111111111 0.1793 49 H -0.4172 3.1688 0.1280 H 1 UNL1111111111 0.3284 50 H -3.2580 1.5062 3.4670 H 1 UNL1111111111 0.3268 @BOND 1 1 13 2 2 2 14 2 3 3 27 1 4 3 50 1 5 4 28 1 6 4 49 1 7 5 10 1 8 5 14 am 9 5 37 1 10 6 9 1 11 6 13 am 12 6 38 1 13 7 19 ar 14 7 22 ar 15 7 41 1 16 8 20 ar 17 8 21 ar 18 8 42 1 19 9 11 1 20 9 14 1 21 9 32 1 22 10 12 1 23 10 13 1 24 10 31 1 25 11 16 1 26 11 33 1 27 11 34 1 28 12 15 1 29 12 35 1 30 12 36 1 31 15 18 ar 32 15 19 ar 33 16 17 ar 34 16 20 ar 35 17 21 ar 36 17 23 ar 37 18 22 ar 38 18 24 ar 39 19 40 1 40 20 39 1 41 21 25 ar 42 22 26 ar 43 23 28 ar 44 23 43 1 45 24 27 ar 46 24 44 1 47 25 29 ar 48 25 46 1 49 26 30 ar 50 26 45 1 51 27 30 ar 52 28 29 ar 53 29 47 1 54 30 48 1