REMARK Name = BDB004132 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.071 -1.775 -3.589 0.00 0.00 +0.138 C ATOM 2 N LIG 1 -2.320 -0.839 -2.524 0.00 0.00 -0.272 N ATOM 3 C LIG 1 -1.370 -0.466 -1.569 0.00 0.00 +0.042 A ATOM 4 C LIG 1 -1.925 0.448 -0.672 0.00 0.00 +0.006 A ATOM 5 C LIG 1 -1.158 0.970 0.358 0.00 0.00 +0.008 A ATOM 6 C LIG 1 0.172 0.552 0.480 0.00 0.00 +0.008 A ATOM 7 C LIG 1 0.736 -0.368 -0.429 0.00 0.00 -0.023 A ATOM 8 C LIG 1 -3.375 0.727 -1.037 0.00 0.00 +0.143 C ATOM 9 C LIG 1 -3.542 2.153 -1.602 0.00 0.00 +0.047 C ATOM 10 C LIG 1 -0.056 -0.891 -1.461 0.00 0.00 +0.031 A ATOM 11 C LIG 1 -3.546 -0.203 -2.304 0.00 0.00 +0.248 C ATOM 12 O LIG 1 -4.568 -0.362 -2.957 0.00 0.00 -0.273 OA ENDROOT BRANCH 8 13 ATOM 13 N LIG 1 -4.326 0.373 0.075 0.00 0.00 -0.243 N ATOM 14 C LIG 1 -4.499 1.293 1.111 0.00 0.00 +0.313 C ATOM 15 O LIG 1 -4.060 2.443 1.104 0.00 0.00 -0.252 OA ATOM 16 N LIG 1 -5.094 0.869 2.266 0.00 0.00 -0.239 N ATOM 17 H LIG 1 -4.956 1.602 2.951 0.00 0.00 +0.159 HD ATOM 18 C LIG 1 -6.428 0.588 2.287 0.00 0.00 +0.224 C ATOM 19 O LIG 1 -7.169 1.187 3.067 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 -6.962 -0.442 1.318 0.00 0.00 +0.124 C ATOM 21 C LIG 1 -5.929 -1.337 0.718 0.00 0.00 -0.002 C ATOM 22 C LIG 1 -4.791 -0.938 0.139 0.00 0.00 +0.077 C ENDBRANCH 8 13 BRANCH 7 23 ATOM 23 C LIG 1 2.122 -0.840 -0.301 0.00 0.00 +0.015 C ATOM 24 C LIG 1 3.146 -0.065 0.089 0.00 0.00 +0.092 C BRANCH 24 25 ATOM 25 C LIG 1 4.509 -0.632 0.169 0.00 0.00 +0.332 C ATOM 26 O LIG 1 4.803 -1.781 -0.110 0.00 0.00 -0.246 OA BRANCH 25 27 ATOM 27 O LIG 1 5.333 0.351 0.600 0.00 0.00 -0.456 OA BRANCH 27 28 ATOM 28 C LIG 1 6.750 0.096 0.780 0.00 0.00 +0.106 C ATOM 29 C LIG 1 7.422 -0.273 -0.547 0.00 0.00 +0.055 C ATOM 30 C LIG 1 6.991 -0.967 1.858 0.00 0.00 +0.055 C ATOM 31 C LIG 1 7.329 1.432 1.269 0.00 0.00 +0.055 C ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 7 23 TORSDOF 5