@MOLECULE 6-amino-1,2-dihydro-1,2-chrysenediol 36 39 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.8349 -1.3234 1.0700 O.3 1 UNL1111111111 -0.5285 2 O 5.4594 0.3646 -0.0969 O.3 1 UNL1111111111 -0.5511 3 N -2.8295 2.9992 0.1136 N.pl3 1 UNL1111111111 -0.6192 4 C 1.9358 -0.8175 -0.1648 C.ar 1 UNL1111111111 -0.0004 5 C 3.4373 -0.9227 -0.2318 C.3 1 UNL1111111111 0.0883 6 C 1.2939 0.4049 -0.0274 C.ar 1 UNL1111111111 -0.0460 7 C -0.1293 0.4597 -0.0253 C.ar 1 UNL1111111111 0.0842 8 C -0.8691 -0.7402 -0.0844 C.ar 1 UNL1111111111 -0.0823 9 C 4.1387 0.4140 -0.5974 C.3 1 UNL1111111111 0.0994 10 C -2.3164 -0.6918 -0.0471 C.ar 1 UNL1111111111 0.0485 11 C 1.1958 -2.0102 -0.2212 C.ar 1 UNL1111111111 -0.1739 12 C 2.1003 1.6080 0.1466 C.2 1 UNL1111111111 -0.1204 13 C -0.1802 -1.9686 -0.1718 C.ar 1 UNL1111111111 -0.1163 14 C 3.4178 1.6199 -0.0913 C.2 1 UNL1111111111 -0.2223 15 C -2.9874 0.5449 0.0256 C.ar 1 UNL1111111111 -0.0838 16 C -0.8231 1.7057 0.0105 C.ar 1 UNL1111111111 -0.3550 17 C -2.1950 1.7632 0.0318 C.ar 1 UNL1111111111 0.2594 18 C -3.0902 -1.8752 -0.0741 C.ar 1 UNL1111111111 -0.1693 19 C -4.3962 0.5717 0.0960 C.ar 1 UNL1111111111 -0.1304 20 C -4.4671 -1.8319 -0.0188 C.ar 1 UNL1111111111 -0.1230 21 C -5.1291 -0.5965 0.0725 C.ar 1 UNL1111111111 -0.1635 22 H 3.7514 -1.7147 -0.9522 H 1 UNL1111111111 0.1276 23 H 4.2976 0.4826 -1.7026 H 1 UNL1111111111 0.1540 24 H 1.7180 -2.9632 -0.2863 H 1 UNL1111111111 0.1580 25 H 1.5870 2.4983 0.5135 H 1 UNL1111111111 0.1564 26 H -0.7416 -2.9026 -0.2034 H 1 UNL1111111111 0.1514 27 H 4.0375 2.5004 0.0575 H 1 UNL1111111111 0.1605 28 H -0.2411 2.6235 0.0124 H 1 UNL1111111111 0.1676 29 H -2.5898 -2.8417 -0.1361 H 1 UNL1111111111 0.1581 30 H -4.9204 1.5217 0.1838 H 1 UNL1111111111 0.1438 31 H 4.7786 -1.5940 1.0567 H 1 UNL1111111111 0.3146 32 H 5.4591 0.5083 0.8754 H 1 UNL1111111111 0.3252 33 H -5.0496 -2.7518 -0.0409 H 1 UNL1111111111 0.1508 34 H -6.2151 -0.5709 0.1278 H 1 UNL1111111111 0.1518 35 H -3.7928 3.0760 -0.1294 H 1 UNL1111111111 0.2903 36 H -2.2863 3.8231 -0.0447 H 1 UNL1111111111 0.2956 @BOND 1 1 5 1 2 1 31 1 3 2 9 1 4 2 32 1 5 3 17 1 6 3 35 1 7 3 36 1 8 4 5 1 9 4 6 ar 10 4 11 ar 11 5 9 1 12 5 22 1 13 6 7 ar 14 6 12 1 15 7 8 ar 16 7 16 ar 17 8 10 ar 18 8 13 ar 19 9 14 1 20 9 23 1 21 10 15 ar 22 10 18 ar 23 11 13 ar 24 11 24 1 25 12 14 2 26 12 25 1 27 13 26 1 28 14 27 1 29 15 17 ar 30 15 19 ar 31 16 17 ar 32 16 28 1 33 18 20 ar 34 18 29 1 35 19 21 ar 36 19 30 1 37 20 21 ar 38 20 33 1 39 21 34 1