REMARK Name = BDB058293 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.931 0.134 -0.247 0.00 0.00 -0.284 N ATOM 2 H LIG 1 2.495 0.461 -1.104 0.00 0.00 +0.155 HD ATOM 3 C LIG 1 2.059 -0.358 0.714 0.00 0.00 +0.218 C ATOM 4 O LIG 1 2.365 -0.800 1.815 0.00 0.00 -0.275 OA ENDROOT BRANCH 1 6 ATOM 5 C LIG 1 5.066 0.767 -1.264 0.00 0.00 +0.073 A ATOM 6 C LIG 1 4.347 0.233 -0.172 0.00 0.00 +0.051 A ATOM 7 C LIG 1 5.072 -0.181 0.952 0.00 0.00 +0.024 A ATOM 8 C LIG 1 6.467 -0.070 0.994 0.00 0.00 +0.002 A ATOM 9 C LIG 1 7.164 0.458 -0.087 0.00 0.00 +0.001 A ATOM 10 C LIG 1 6.466 0.876 -1.216 0.00 0.00 +0.021 A BRANCH 5 12 ATOM 11 N LIG 1 3.805 1.558 -3.388 0.00 0.00 -0.191 NA ATOM 12 C LIG 1 4.396 1.212 -2.451 0.00 0.00 +0.101 C ENDBRANCH 5 12 ENDBRANCH 1 6 BRANCH 3 13 ATOM 13 C LIG 1 0.615 -0.287 0.240 0.00 0.00 +0.111 C BRANCH 13 14 ATOM 14 C LIG 1 -0.352 -0.848 1.288 0.00 0.00 +0.094 C BRANCH 14 15 ATOM 15 N LIG 1 -1.782 -0.833 0.943 0.00 0.00 -0.297 NA ATOM 16 C LIG 1 -2.347 0.523 0.880 0.00 0.00 +0.119 C ATOM 17 C LIG 1 -3.811 0.551 0.490 0.00 0.00 -0.030 A ATOM 18 C LIG 1 -4.410 -0.548 -0.152 0.00 0.00 -0.042 A ATOM 19 C LIG 1 -5.758 -0.485 -0.530 0.00 0.00 +0.004 A ATOM 20 C LIG 1 -6.501 0.672 -0.296 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -5.906 1.769 0.322 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -3.620 -1.814 -0.370 0.00 0.00 +0.051 C ATOM 23 C LIG 1 -4.568 1.711 0.711 0.00 0.00 +0.005 A ATOM 24 C LIG 1 -2.105 -1.588 -0.271 0.00 0.00 +0.089 C ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 3 13 TORSDOF 5