REMARK Name = BDB041188 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.050 -0.826 0.440 0.00 0.00 -0.322 N ATOM 2 H LIG 1 -0.541 -1.652 0.112 0.00 0.00 +0.148 HD ENDROOT BRANCH 1 9 ATOM 3 C LIG 1 3.520 -0.316 0.784 0.00 0.00 +0.181 A ATOM 4 N LIG 1 4.098 -1.525 0.907 0.00 0.00 -0.223 NA ATOM 5 C LIG 1 3.207 -2.537 0.859 0.00 0.00 +0.115 A ATOM 6 C LIG 1 1.847 -2.337 0.701 0.00 0.00 +0.192 A ATOM 7 O LIG 1 1.190 -3.532 0.679 0.00 0.00 -0.458 OA ATOM 8 C LIG 1 2.141 -4.496 0.834 0.00 0.00 +0.198 A ATOM 9 C LIG 1 1.316 -1.058 0.582 0.00 0.00 +0.166 A ATOM 10 C LIG 1 3.394 -3.934 0.947 0.00 0.00 +0.069 A ATOM 11 N LIG 1 2.207 -0.039 0.627 0.00 0.00 -0.207 NA BRANCH 3 14 ATOM 12 C LIG 1 2.927 2.620 2.049 0.00 0.00 +0.068 C ATOM 13 C LIG 1 4.161 2.099 1.412 0.00 0.00 +0.067 A ATOM 14 C LIG 1 4.401 0.841 0.866 0.00 0.00 +0.109 A ATOM 15 N LIG 1 5.703 0.925 0.403 0.00 0.00 -0.325 N ATOM 16 C LIG 1 6.186 2.159 0.748 0.00 0.00 +0.200 A ATOM 17 N LIG 1 5.278 2.895 1.337 0.00 0.00 -0.240 NA BRANCH 15 18 ATOM 18 C LIG 1 6.458 -0.080 -0.343 0.00 0.00 +0.083 C ATOM 19 C LIG 1 7.443 -0.812 0.567 0.00 0.00 +0.030 C ATOM 20 C LIG 1 7.172 0.504 -1.567 0.00 0.00 +0.030 C ENDBRANCH 15 18 ENDBRANCH 3 14 ENDBRANCH 1 9 BRANCH 1 21 ATOM 21 C LIG 1 -0.399 0.406 -0.244 0.00 0.00 +0.138 C BRANCH 21 22 ATOM 22 C LIG 1 -1.901 0.462 -0.408 0.00 0.00 -0.030 A ATOM 23 C LIG 1 -2.501 0.146 -1.633 0.00 0.00 +0.006 A ATOM 24 C LIG 1 -3.892 0.186 -1.770 0.00 0.00 +0.012 A ATOM 25 C LIG 1 -4.710 0.522 -0.683 0.00 0.00 +0.017 A ATOM 26 C LIG 1 -4.108 0.850 0.537 0.00 0.00 +0.012 A ATOM 27 C LIG 1 -2.717 0.810 0.677 0.00 0.00 +0.006 A BRANCH 25 28 ATOM 28 C LIG 1 -6.163 0.551 -0.865 0.00 0.00 +0.141 A ATOM 29 N LIG 1 -7.094 -0.044 -0.038 0.00 0.00 -0.333 N ATOM 30 C LIG 1 -6.832 -0.868 1.118 0.00 0.00 +0.150 C ATOM 31 C LIG 1 -8.341 0.215 -0.539 0.00 0.00 +0.119 A ATOM 32 C LIG 1 -8.141 0.942 -1.698 0.00 0.00 +0.162 A ATOM 33 N LIG 1 -6.778 1.120 -1.888 0.00 0.00 -0.224 NA BRANCH 32 34 ATOM 34 C LIG 1 -9.162 1.478 -2.658 0.00 0.00 +0.436 C ATOM 35 F LIG 1 -8.985 1.009 -3.921 0.00 0.00 -0.164 F ATOM 36 F LIG 1 -9.146 2.835 -2.729 0.00 0.00 -0.164 F ATOM 37 F LIG 1 -10.429 1.129 -2.295 0.00 0.00 -0.164 F ENDBRANCH 32 34 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 7