REMARK Name = BDB007189 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.718 1.561 -0.844 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -3.593 0.946 -0.294 0.00 0.00 +0.029 A ATOM 3 C LIG 1 -2.909 -0.067 -0.990 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -1.708 -0.784 -0.385 0.00 0.00 +0.142 C ATOM 5 N LIG 1 -0.689 -1.053 -1.427 0.00 0.00 -0.260 N ATOM 6 C LIG 1 -1.098 -1.533 -2.684 0.00 0.00 +0.225 C ATOM 7 C LIG 1 -2.594 -1.522 -2.978 0.00 0.00 +0.131 C ATOM 8 O LIG 1 -0.347 -2.023 -3.531 0.00 0.00 -0.275 OA ATOM 9 C LIG 1 -3.345 -0.441 -2.262 0.00 0.00 -0.033 A ATOM 10 C LIG 1 -4.473 0.165 -2.818 0.00 0.00 +0.006 A ATOM 11 C LIG 1 -5.151 1.163 -2.114 0.00 0.00 +0.023 A ENDROOT BRANCH 4 12 ATOM 12 C LIG 1 -2.115 -2.021 0.433 0.00 0.00 -0.022 A ATOM 13 C LIG 1 -1.775 -3.334 0.060 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -2.166 -4.430 0.837 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -2.897 -4.229 2.003 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -3.376 -5.578 2.957 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -3.236 -2.942 2.403 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -2.845 -1.847 1.627 0.00 0.00 +0.007 A ENDBRANCH 4 12 BRANCH 5 19 ATOM 19 C LIG 1 0.709 -0.923 -1.084 0.00 0.00 +0.037 A ATOM 20 C LIG 1 1.150 -0.946 0.246 0.00 0.00 +0.025 A ATOM 21 C LIG 1 2.508 -0.803 0.569 0.00 0.00 +0.025 A ATOM 22 C LIG 1 3.486 -0.625 -0.417 0.00 0.00 +0.030 A ATOM 23 C LIG 1 3.047 -0.590 -1.742 0.00 0.00 +0.025 A ATOM 24 C LIG 1 1.688 -0.735 -2.067 0.00 0.00 +0.025 A BRANCH 22 25 ATOM 25 N LIG 1 4.833 -0.493 -0.029 0.00 0.00 -0.329 N ATOM 26 C LIG 1 5.370 -1.770 0.466 0.00 0.00 +0.129 C BRANCH 25 27 ATOM 27 C LIG 1 5.717 0.232 -0.956 0.00 0.00 +0.140 C BRANCH 27 28 ATOM 28 C LIG 1 6.922 0.796 -0.236 0.00 0.00 -0.027 A ATOM 29 C LIG 1 8.219 0.538 -0.689 0.00 0.00 +0.025 A ATOM 30 C LIG 1 9.286 1.096 -0.001 0.00 0.00 +0.111 A ATOM 31 N LIG 1 9.152 1.884 1.087 0.00 0.00 -0.263 NA ATOM 32 C LIG 1 7.891 2.125 1.506 0.00 0.00 +0.111 A ATOM 33 C LIG 1 6.762 1.616 0.887 0.00 0.00 +0.025 A ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 22 25 ENDBRANCH 5 19 BRANCH 1 35 ATOM 34 C LIG 1 -5.265 3.071 1.083 0.00 0.00 +0.217 C ATOM 35 N LIG 1 -5.459 2.571 -0.196 0.00 0.00 -0.285 N ATOM 36 H LIG 1 -6.238 2.952 -0.718 0.00 0.00 +0.155 HD ATOM 37 O LIG 1 -4.420 2.700 1.889 0.00 0.00 -0.275 OA BRANCH 34 39 ATOM 38 C LIG 1 -6.066 4.756 2.791 0.00 0.00 +0.013 C ATOM 39 C LIG 1 -6.263 4.174 1.402 0.00 0.00 +0.093 C ENDBRANCH 34 39 ENDBRANCH 1 35 TORSDOF 7