REMARK Name = BDB051085 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.505 -2.239 -1.113 0.00 0.00 +0.060 C ATOM 2 C LIG 1 0.911 -1.916 -0.704 0.00 0.00 +0.169 C ATOM 3 C LIG 1 1.726 -2.847 0.101 0.00 0.00 +0.342 C ATOM 4 O LIG 1 1.705 -4.066 0.054 0.00 0.00 -0.248 OA ATOM 5 O LIG 1 2.504 -2.072 0.906 0.00 0.00 -0.405 OA ATOM 6 C LIG 1 2.196 -0.778 0.613 0.00 0.00 +0.228 C ATOM 7 N LIG 1 1.298 -0.553 -0.296 0.00 0.00 -0.231 NA ATOM 8 C LIG 1 0.600 -2.147 -2.148 0.00 0.00 +0.053 C ENDROOT BRANCH 1 12 ATOM 9 C LIG 1 -3.719 0.693 -1.063 0.00 0.00 +0.120 A ATOM 10 C LIG 1 -3.416 -0.011 -2.227 0.00 0.00 +0.046 A ATOM 11 C LIG 1 -2.377 -0.948 -2.244 0.00 0.00 +0.007 A ATOM 12 C LIG 1 -1.607 -1.205 -1.100 0.00 0.00 -0.041 A ATOM 13 C LIG 1 -1.936 -0.494 0.065 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -2.974 0.447 0.087 0.00 0.00 +0.046 A BRANCH 9 16 ATOM 15 C LIG 1 -5.090 2.329 -0.021 0.00 0.00 +0.277 C ATOM 16 O LIG 1 -4.754 1.579 -1.181 0.00 0.00 -0.495 OA ENDBRANCH 9 16 ENDBRANCH 1 12 BRANCH 6 17 ATOM 17 C LIG 1 2.934 0.234 1.385 0.00 0.00 +0.037 A ATOM 18 C LIG 1 3.892 -0.128 2.339 0.00 0.00 +0.013 A ATOM 19 C LIG 1 4.572 0.862 3.054 0.00 0.00 +0.001 A ATOM 20 C LIG 1 4.297 2.209 2.819 0.00 0.00 +0.000 A ATOM 21 C LIG 1 3.343 2.572 1.869 0.00 0.00 +0.001 A ATOM 22 C LIG 1 2.661 1.587 1.152 0.00 0.00 +0.013 A ENDBRANCH 6 17 TORSDOF 3