REMARK Name = BDB019761 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.873 0.102 -1.393 0.00 0.00 +0.038 A ATOM 2 C LIG 1 0.458 1.438 -1.304 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -0.902 1.760 -1.161 0.00 0.00 -0.015 A ATOM 4 C LIG 1 -1.838 0.714 -1.114 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -1.443 -0.628 -1.231 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -0.080 -0.924 -1.365 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.340 3.160 -1.047 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -1.304 4.071 -2.124 0.00 0.00 +0.051 A ATOM 9 CL LIG 1 -0.755 3.603 -3.698 0.00 0.00 -0.083 Cl ATOM 10 C LIG 1 -1.728 5.392 -1.962 0.00 0.00 +0.059 A ATOM 11 C LIG 1 -2.192 5.814 -0.725 0.00 0.00 +0.125 A ATOM 12 F LIG 1 -2.597 7.080 -0.569 0.00 0.00 -0.205 F ATOM 13 C LIG 1 -2.244 4.943 0.355 0.00 0.00 +0.039 A ATOM 14 C LIG 1 -1.821 3.623 0.195 0.00 0.00 +0.013 A ENDBRANCH 3 7 BRANCH 1 16 ATOM 15 O LIG 1 2.610 -1.352 -2.040 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 2.307 -0.276 -1.537 0.00 0.00 +0.244 C ATOM 17 N LIG 1 3.235 0.616 -1.040 0.00 0.00 -0.307 N ATOM 18 H LIG 1 2.925 1.370 -0.446 0.00 0.00 +0.149 HD BRANCH 17 19 ATOM 19 C LIG 1 4.644 0.294 -1.011 0.00 0.00 +0.140 C BRANCH 19 20 ATOM 20 C LIG 1 5.048 -0.206 0.353 0.00 0.00 -0.029 A ATOM 21 C LIG 1 4.785 -1.536 0.723 0.00 0.00 +0.026 A ATOM 22 C LIG 1 5.128 -2.006 1.994 0.00 0.00 +0.060 A ATOM 23 CL LIG 1 4.766 -3.653 2.370 0.00 0.00 -0.082 Cl ATOM 24 C LIG 1 5.738 -1.145 2.912 0.00 0.00 +0.059 A ATOM 25 CL LIG 1 6.190 -1.649 4.501 0.00 0.00 -0.082 Cl ATOM 26 C LIG 1 5.999 0.181 2.553 0.00 0.00 +0.022 A ATOM 27 C LIG 1 5.653 0.649 1.282 0.00 0.00 +0.007 A ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 16 BRANCH 5 28 ATOM 28 C LIG 1 -2.470 -1.732 -1.173 0.00 0.00 +0.139 C BRANCH 28 29 ATOM 29 N LIG 1 -2.769 -2.026 0.216 0.00 0.00 -0.313 N ATOM 30 H LIG 1 -1.935 -2.171 0.772 0.00 0.00 +0.149 HD BRANCH 29 31 ATOM 31 C LIG 1 -3.745 -2.910 0.515 0.00 0.00 +0.176 C ATOM 32 N LIG 1 -3.771 -3.278 1.823 0.00 0.00 -0.316 N ATOM 33 H LIG 1 -3.607 -2.509 2.460 0.00 0.00 +0.149 HD ATOM 34 C LIG 1 -5.016 -3.989 2.033 0.00 0.00 +0.127 C ATOM 35 C LIG 1 -5.431 -4.314 0.596 0.00 0.00 +0.163 C ATOM 36 N LIG 1 -4.645 -3.403 -0.281 0.00 0.00 -0.255 NA ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 5 28 TORSDOF 7