@MOLECULE 2,5-piperazinedione, 3-ethylidene-6-(1h-indol-3-ylmethyl)-1-methyl- 38 40 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.0516 -2.2012 1.2598 O.2 1 TRP1111111111 -0.5136 2 O 3.4755 2.3078 -0.0217 O.2 2 UNK2222222222 -0.5129 3 N 1.6371 1.2772 0.8001 N.am 1 TRP1111111111 -0.4792 4 N 2.8098 -1.2044 0.2923 N.am 2 UNK2222222222 -0.5390 5 NE1 -3.0187 -2.0449 0.1186 N.ar 1 TRP1111111111 -0.3730 6 CA 0.7384 0.1289 0.7204 C.3 1 TRP1111111111 0.0167 7 CB -0.0834 0.0986 -0.5981 C.3 1 TRP1111111111 -0.2764 8 CG -1.3995 -0.5209 -0.3574 C.ar 1 TRP1111111111 -0.1463 9 C 1.5236 -1.1802 0.8088 C.2 1 TRP1111111111 0.5594 10 CD2 -2.6666 0.1584 -0.3779 C.ar 1 TRP1111111111 -0.0652 11 C 2.8613 1.2744 0.1564 C.2 2 UNK2222222222 0.5606 12 CE2 -3.6647 -0.8227 -0.0738 C.ar 1 TRP1111111111 0.0962 13 CD1 -1.6475 -1.8510 -0.0513 C.ar 1 TRP1111111111 -0.0026 14 C 3.4392 -0.0541 -0.2220 C.2 2 UNK2222222222 0.0143 15 C 1.0169 2.5615 1.1379 C.3 0 UNK0 -0.2198 16 CE3 -3.0613 1.4783 -0.6174 C.ar 1 TRP1 -0.1170 17 CZ2 -5.0267 -0.5015 -0.0101 C.ar 1 TRP1 -0.2111 18 C 4.5380 -0.0949 -0.9994 C.2 2 UNK2 -0.1252 19 CZ3 -4.4066 1.7926 -0.5548 C.ar 1 TRP1 -0.1906 20 CH2 -5.3776 0.8131 -0.2537 C.ar 1 TRP1 -0.1203 21 C 5.2058 -1.3435 -1.4396 C.3 2 UNK2 -0.4450 22 HA 0.0307 0.1711 1.5999 H 1 TRP1 0.1927 23 HB1 0.4719 -0.4366 -1.3971 H 1 TRP1 0.1625 24 HB2 -0.2043 1.1329 -0.9873 H 1 TRP1 0.1674 25 HD1 -0.9485 -2.6635 0.0755 H 1 TRP1 0.1891 26 H 3.3337 -2.0734 0.3099 H 2 UNK2 0.3273 27 H 0.3380 2.9171 0.3446 H 0 UNK0 0.1384 28 H 1.7998 3.3329 1.2841 H 0 UNK0 0.1747 29 H 0.4520 2.4684 2.0817 H 0 UNK0 0.1497 30 HE1 -3.4589 -2.8987 0.3679 H 1 TRP1 0.3144 31 HE3 -2.3177 2.2354 -0.8512 H 1 TRP1 0.1490 32 HZ2 -5.7703 -1.2557 0.2203 H 1 TRP1 0.1564 33 H 4.9977 0.8414 -1.3356 H 2 UNK2 0.1840 34 HZ3 -4.7357 2.8128 -0.7398 H 1 TRP1 0.1505 35 HH2 -6.4248 1.1101 -0.2154 H 1 TRP1 0.1496 36 H 5.9490 -1.1571 -2.2295 H 2 UNK2 0.1613 37 H 4.4938 -2.0788 -1.8447 H 2 UNK2 0.1597 38 H 5.7451 -1.8262 -0.6086 H 2 UNK2 0.1632 @BOND 1 1 9 2 2 2 11 2 3 3 6 1 4 3 11 am 5 3 15 1 6 4 9 am 7 4 14 1 8 4 26 1 9 5 12 ar 10 5 13 ar 11 5 30 1 12 6 7 1 13 6 9 1 14 6 22 1 15 7 8 1 16 7 23 1 17 7 24 1 18 8 10 ar 19 8 13 ar 20 10 12 ar 21 10 16 ar 22 11 14 1 23 12 17 ar 24 13 25 1 25 14 18 2 26 15 27 1 27 15 28 1 28 15 29 1 29 16 19 ar 30 16 31 1 31 17 20 ar 32 17 32 1 33 18 21 1 34 18 33 1 35 19 20 ar 36 19 34 1 37 20 35 1 38 21 36 1 39 21 37 1 40 21 38 1