REMARK Name = BDB046663 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.210 -1.267 -0.602 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -0.410 -1.761 0.547 0.00 0.00 +0.046 A ATOM 3 C LIG 1 -1.669 -1.296 0.936 0.00 0.00 +0.007 A ATOM 4 C LIG 1 -2.332 -0.329 0.174 0.00 0.00 -0.043 A ATOM 5 C LIG 1 -1.703 0.168 -0.976 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -0.442 -0.299 -1.363 0.00 0.00 +0.046 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 1.437 -1.808 -0.865 0.00 0.00 -0.492 OA BRANCH 7 8 ATOM 8 C LIG 1 2.133 -1.320 -2.017 0.00 0.00 +0.235 C BRANCH 8 9 ATOM 9 C LIG 1 3.483 -2.030 -2.113 0.00 0.00 +0.100 C BRANCH 9 12 ATOM 10 C LIG 1 3.928 -2.601 1.184 0.00 0.00 +0.088 C ATOM 11 C LIG 1 4.627 -1.756 0.202 0.00 0.00 +0.126 A ATOM 12 C LIG 1 4.476 -1.493 -1.143 0.00 0.00 +0.086 A ATOM 13 N LIG 1 5.431 -0.585 -1.544 0.00 0.00 -0.214 NA ATOM 14 C LIG 1 6.120 -0.330 -0.446 0.00 0.00 +0.228 A ATOM 15 O LIG 1 5.679 -1.013 0.658 0.00 0.00 -0.440 OA BRANCH 14 16 ATOM 16 C LIG 1 7.261 0.563 -0.259 0.00 0.00 +0.037 A ATOM 17 C LIG 1 7.879 0.729 0.990 0.00 0.00 +0.013 A ATOM 18 C LIG 1 8.969 1.590 1.139 0.00 0.00 +0.001 A ATOM 19 C LIG 1 9.456 2.297 0.042 0.00 0.00 +0.000 A ATOM 20 C LIG 1 8.854 2.145 -1.205 0.00 0.00 +0.001 A ATOM 21 C LIG 1 7.764 1.283 -1.353 0.00 0.00 +0.013 A ENDBRANCH 14 16 ENDBRANCH 9 12 ENDBRANCH 8 9 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 22 ATOM 22 C LIG 1 -3.700 0.182 0.578 0.00 0.00 +0.094 C BRANCH 22 23 ATOM 23 C LIG 1 -4.956 -0.573 0.044 0.00 0.00 +0.207 C ATOM 24 C LIG 1 -4.654 -1.443 -1.193 0.00 0.00 +0.068 C BRANCH 23 25 ATOM 25 C LIG 1 -5.562 -1.553 1.069 0.00 0.00 +0.349 C ATOM 26 O LIG 1 -6.748 -1.770 1.271 0.00 0.00 -0.246 OA BRANCH 25 27 ATOM 27 O LIG 1 -4.650 -2.263 1.765 0.00 0.00 -0.478 OA ATOM 28 H LIG 1 -5.200 -2.862 2.315 0.00 0.00 +0.295 HD ENDBRANCH 25 27 ENDBRANCH 23 25 BRANCH 23 29 ATOM 29 O LIG 1 -5.920 0.373 -0.464 0.00 0.00 -0.474 OA BRANCH 29 30 ATOM 30 C LIG 1 -6.517 1.319 0.317 0.00 0.00 +0.122 A ATOM 31 C LIG 1 -7.284 2.244 -0.399 0.00 0.00 +0.046 A ATOM 32 C LIG 1 -7.952 3.281 0.254 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -7.861 3.400 1.637 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -7.106 2.479 2.360 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -6.436 1.440 1.703 0.00 0.00 +0.046 A ENDBRANCH 29 30 ENDBRANCH 23 29 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 11