REMARK Name = BDB039251 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.273 2.271 -0.351 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.461 1.151 -0.288 0.00 0.00 -0.263 N ATOM 3 C LIG 1 4.021 1.366 -0.370 0.00 0.00 +0.148 C ATOM 4 C LIG 1 3.184 0.161 -0.019 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.767 -1.088 0.294 0.00 0.00 -0.039 A ATOM 6 C LIG 1 2.966 -2.186 0.635 0.00 0.00 +0.006 A ATOM 7 C LIG 1 1.571 -2.096 0.650 0.00 0.00 +0.028 A ATOM 8 C LIG 1 1.001 -0.862 0.315 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.306 -0.411 0.224 0.00 0.00 -0.324 N ATOM 10 C LIG 1 -0.267 0.923 -0.154 0.00 0.00 +0.114 A ATOM 11 N LIG 1 0.983 1.320 -0.297 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 5.269 -1.224 0.320 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.776 0.243 -0.011 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.945 -0.192 -0.579 0.00 0.00 +0.116 C ATOM 15 O LIG 1 5.856 3.423 -0.321 0.00 0.00 -0.226 OA ENDROOT BRANCH 9 16 ATOM 16 C LIG 1 -1.493 -1.225 0.476 0.00 0.00 +0.094 C ATOM 17 C LIG 1 -1.680 -2.318 -0.593 0.00 0.00 +0.060 C ATOM 18 C LIG 1 -2.876 -3.169 -0.254 0.00 0.00 -0.042 A ATOM 19 C LIG 1 -3.035 -3.590 1.077 0.00 0.00 -0.044 A ATOM 20 C LIG 1 -4.114 -4.410 1.420 0.00 0.00 +0.004 A ATOM 21 C LIG 1 -5.035 -4.795 0.446 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -4.875 -4.377 -0.875 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -1.992 -3.193 2.086 0.00 0.00 +0.037 C ATOM 24 C LIG 1 -3.793 -3.570 -1.229 0.00 0.00 +0.004 A ATOM 25 C LIG 1 -1.588 -1.724 1.940 0.00 0.00 +0.030 C ENDBRANCH 9 16 BRANCH 10 26 ATOM 26 C LIG 1 -1.437 1.847 -0.393 0.00 0.00 +0.055 C ATOM 27 C LIG 1 -2.283 2.097 0.867 0.00 0.00 +0.012 C ATOM 28 C LIG 1 -3.789 2.122 0.592 0.00 0.00 +0.015 C ATOM 29 C LIG 1 -4.153 2.914 -0.667 0.00 0.00 +0.098 C ATOM 30 C LIG 1 -3.365 2.473 -1.913 0.00 0.00 +0.015 C ATOM 31 C LIG 1 -2.263 1.452 -1.622 0.00 0.00 +0.012 C BRANCH 29 32 ATOM 32 C LIG 1 -3.987 4.396 -0.398 0.00 0.00 +0.308 C ATOM 33 O LIG 1 -3.006 5.082 -0.628 0.00 0.00 -0.251 OA BRANCH 32 34 ATOM 34 O LIG 1 -5.074 4.936 0.187 0.00 0.00 -0.480 OA ATOM 35 H LIG 1 -4.828 5.877 0.317 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 29 32 ENDBRANCH 10 26 BRANCH 1 37 ATOM 36 C LIG 1 8.462 3.087 -0.508 0.00 0.00 +0.282 C ATOM 37 O LIG 1 7.594 1.955 -0.449 0.00 0.00 -0.454 OA ENDBRANCH 1 37 TORSDOF 5