@MOLECULE (1s,2s)-2-[(1s)-1-amino-1-carboxy-2-(2,6-dioxo-1,2,3,6-tetrahydro-9h-purin-9-yl)ethyl]cyclopropanecarboxylic acid 36 38 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.0844 3.1081 0.8994 O.3 1 UNL1 -0.6050 2 O -0.4437 3.6204 -1.2114 O.2 1 UNL1 -0.4516 3 O -3.0561 -2.6683 0.0573 O.3 1 UNL1 -0.5882 4 O -2.2345 -1.7121 -1.7880 O.2 1 UNL1 -0.4315 5 O 4.2608 -1.7915 -0.9192 O.2 1 UNL1 -0.4086 6 O 2.9045 2.3506 0.3916 O.2 1 UNL1 -0.5190 7 N -3.5348 -0.1509 1.0935 N.3 1 UNL1 -0.6397 8 N -0.0257 -1.3490 0.8447 N.ar 1 UNL1 -0.3411 9 N 1.4145 0.6802 0.7185 N.ar 1 UNL1 -0.5524 10 N 1.4542 -2.8402 -0.0213 N.ar 1 UNL1 -0.2466 11 N 3.5687 0.2489 -0.2641 N.ar 1 UNL1 -0.6395 12 C -1.8410 0.7366 -0.4986 C.3 1 UNL1 -0.1836 13 C -1.8682 2.1429 0.0832 C.3 1 UNL1 -0.2516 14 C -2.7806 1.7731 -1.0626 C.3 1 UNL1 -0.2656 15 C -2.3139 -0.4431 0.3345 C.3 1 UNL1 0.1381 16 C -1.2454 -0.8268 1.4169 C.3 1 UNL1 -0.0911 17 C -0.7173 3.0352 -0.2022 C.2 1 UNL1 0.6417 18 C -2.4986 -1.6318 -0.6252 C.2 1 UNL1 0.5547 19 C 1.1237 -0.6456 0.5283 C.ar 1 UNL1 0.2754 20 C 0.2335 -2.7069 0.4823 C.ar 1 UNL1 0.0796 21 C 2.0377 -1.5815 -0.0118 C.ar 1 UNL1 -0.1847 22 C 3.3500 -1.1666 -0.4476 C.ar 1 UNL1 0.6341 23 C 2.6710 1.1640 0.2751 C.ar 1 UNL1 0.7247 24 H -0.9861 0.4511 -1.1408 H 1 UNL1 0.1968 25 H -2.2947 2.2867 1.0895 H 1 UNL1 0.2106 26 H -3.8527 1.7279 -0.9069 H 1 UNL1 0.1610 27 H -2.5756 2.1784 -2.0618 H 1 UNL1 0.1914 28 H -1.6811 -1.5913 2.1099 H 1 UNL1 0.1803 29 H -1.0398 0.0733 2.0458 H 1 UNL1 0.1838 30 H -3.9262 -0.9796 1.5268 H 1 UNL1 0.2798 31 H -4.2457 0.3055 0.5438 H 1 UNL1 0.2707 32 H 0.9574 3.5728 0.7412 H 1 UNL1 0.3926 33 H -0.5026 -3.4794 0.6330 H 1 UNL1 0.1980 34 H -3.2316 -3.4675 -0.5016 H 1 UNL1 0.3700 35 H 0.7345 1.3510 1.0847 H 1 UNL1 0.3640 36 H 4.4789 0.6197 -0.5602 H 1 UNL1 0.3522 @BOND 1 27 14 1 2 4 18 2 3 2 17 2 4 24 12 1 5 14 26 1 6 14 12 1 7 14 13 1 8 5 22 2 9 18 3 1 10 18 15 1 11 36 11 1 12 34 3 1 13 12 13 1 14 12 15 1 15 22 11 ar 16 22 21 ar 17 11 23 ar 18 17 13 1 19 17 1 1 20 10 21 ar 21 10 20 ar 22 21 19 ar 23 13 25 1 24 23 6 2 25 23 9 ar 26 15 7 1 27 15 16 1 28 20 33 1 29 20 8 ar 30 19 9 ar 31 19 8 ar 32 31 7 1 33 9 35 1 34 32 1 1 35 8 16 1 36 7 30 1 37 16 29 1 38 16 28 1