REMARK Name = BDB007075 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.323 -0.500 0.938 0.00 0.00 +0.140 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.786 0.953 0.803 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.322 1.527 -0.361 0.00 0.00 +0.148 A ATOM 4 C LIG 1 -1.718 2.866 -0.441 0.00 0.00 +0.113 A ATOM 5 C LIG 1 -1.569 3.676 0.699 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -1.968 5.016 0.610 0.00 0.00 +0.011 A ATOM 7 C LIG 1 -2.491 5.503 -0.583 0.00 0.00 +0.020 A ATOM 8 C LIG 1 -2.599 4.631 -1.650 0.00 0.00 +0.111 A ATOM 9 C LIG 1 -1.033 3.135 1.877 0.00 0.00 +0.010 A ATOM 10 N LIG 1 -2.227 3.332 -1.604 0.00 0.00 -0.251 NA ATOM 11 C LIG 1 -0.647 1.794 1.923 0.00 0.00 +0.010 A BRANCH 3 12 ATOM 12 O LIG 1 -1.477 0.773 -1.508 0.00 0.00 -0.504 OA ATOM 13 H LIG 1 -1.843 1.413 -2.157 0.00 0.00 +0.292 HD ENDBRANCH 3 12 ENDBRANCH 1 2 BRANCH 1 14 ATOM 14 C LIG 1 1.201 -0.663 0.960 0.00 0.00 +0.023 A ATOM 15 C LIG 1 2.055 -0.216 -0.061 0.00 0.00 +0.170 A ATOM 16 C LIG 1 3.450 -0.354 0.064 0.00 0.00 +0.204 A ATOM 17 C LIG 1 4.017 -1.021 1.161 0.00 0.00 +0.165 A ATOM 18 C LIG 1 3.172 -1.509 2.155 0.00 0.00 +0.050 A ATOM 19 C LIG 1 1.786 -1.328 2.056 0.00 0.00 +0.013 A BRANCH 15 20 ATOM 20 O LIG 1 1.520 0.409 -1.159 0.00 0.00 -0.491 OA ATOM 21 C LIG 1 1.612 -0.429 -2.313 0.00 0.00 +0.277 C ENDBRANCH 15 20 BRANCH 16 22 ATOM 22 O LIG 1 4.281 0.127 -0.925 0.00 0.00 -0.488 OA ATOM 23 C LIG 1 4.559 1.506 -0.686 0.00 0.00 +0.277 C ENDBRANCH 16 22 BRANCH 17 24 ATOM 24 O LIG 1 5.384 -1.122 1.173 0.00 0.00 -0.491 OA ATOM 25 C LIG 1 5.966 -1.941 2.178 0.00 0.00 +0.277 C ENDBRANCH 17 24 ENDBRANCH 1 14 BRANCH 1 26 ATOM 26 N LIG 1 -0.876 -1.419 -0.051 0.00 0.00 -0.315 N ATOM 27 H LIG 1 -0.898 -0.949 -0.961 0.00 0.00 +0.148 HD BRANCH 26 29 ATOM 28 C LIG 1 -2.860 -2.529 -0.887 0.00 0.00 +0.161 A ATOM 29 C LIG 1 -2.173 -1.911 0.185 0.00 0.00 +0.162 A ATOM 30 N LIG 1 -2.694 -1.864 1.435 0.00 0.00 -0.235 NA ATOM 31 C LIG 1 -3.921 -2.400 1.626 0.00 0.00 +0.133 A ATOM 32 C LIG 1 -4.663 -3.004 0.626 0.00 0.00 +0.063 A ATOM 33 CL LIG 1 -6.215 -3.659 0.957 0.00 0.00 -0.082 Cl ATOM 34 C LIG 1 -4.125 -3.072 -0.652 0.00 0.00 +0.070 A BRANCH 28 36 ATOM 35 C LIG 1 -2.850 -3.220 -3.173 0.00 0.00 +0.277 C ATOM 36 O LIG 1 -2.224 -2.523 -2.105 0.00 0.00 -0.492 OA ENDBRANCH 28 36 ENDBRANCH 26 29 ENDBRANCH 1 26 TORSDOF 9