REMARK Name = BDB030373 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.809 -0.755 -1.489 0.00 0.00 -0.004 A ATOM 2 C LIG 1 -1.219 0.519 -1.098 0.00 0.00 +0.164 A ATOM 3 F LIG 1 -0.629 1.596 -1.639 0.00 0.00 -0.202 F ATOM 4 C LIG 1 -2.224 0.700 -0.147 0.00 0.00 +0.180 A ATOM 5 F LIG 1 -2.522 1.959 0.211 0.00 0.00 -0.200 F ATOM 6 C LIG 1 -2.869 -0.390 0.459 0.00 0.00 +0.082 A ATOM 7 C LIG 1 -2.455 -1.684 0.057 0.00 0.00 +0.061 A ATOM 8 C LIG 1 -1.431 -1.860 -0.895 0.00 0.00 +0.021 A ENDROOT BRANCH 7 9 ATOM 9 C LIG 1 -3.080 -2.888 0.671 0.00 0.00 +0.243 C ATOM 10 O LIG 1 -3.492 -2.879 1.824 0.00 0.00 -0.270 OA ATOM 11 N LIG 1 -3.207 -4.001 -0.115 0.00 0.00 -0.325 N ATOM 12 H LIG 1 -3.172 -3.948 -1.123 0.00 0.00 +0.145 HD ATOM 13 H LIG 1 -3.757 -4.753 0.284 0.00 0.00 +0.145 HD ENDBRANCH 7 9 BRANCH 6 14 ATOM 14 N LIG 1 -3.927 -0.244 1.384 0.00 0.00 -0.309 N ATOM 15 H LIG 1 -4.002 -1.034 2.039 0.00 0.00 +0.152 HD BRANCH 14 16 ATOM 16 C LIG 1 -4.911 0.739 1.597 0.00 0.00 +0.067 A ATOM 17 C LIG 1 -5.544 0.806 2.851 0.00 0.00 +0.145 A ATOM 18 F LIG 1 -5.215 -0.083 3.801 0.00 0.00 -0.204 F ATOM 19 C LIG 1 -6.508 1.766 3.148 0.00 0.00 +0.054 A ATOM 20 C LIG 1 -6.858 2.694 2.175 0.00 0.00 +0.016 A ATOM 21 I LIG 1 -8.292 4.139 2.589 0.00 0.00 -0.044 I ATOM 22 C LIG 1 -6.251 2.657 0.920 0.00 0.00 +0.016 A ATOM 23 C LIG 1 -5.282 1.685 0.637 0.00 0.00 +0.027 A ENDBRANCH 14 16 ENDBRANCH 6 14 BRANCH 1 24 ATOM 24 C LIG 1 0.310 -0.930 -2.485 0.00 0.00 +0.073 C BRANCH 24 29 ATOM 25 C LIG 1 3.615 -0.387 -0.715 0.00 0.00 +0.163 A ATOM 26 N LIG 1 4.136 -1.622 -0.596 0.00 0.00 -0.236 NA ATOM 27 C LIG 1 3.400 -2.635 -1.099 0.00 0.00 +0.113 A ATOM 28 C LIG 1 2.170 -2.469 -1.719 0.00 0.00 +0.024 A ATOM 29 C LIG 1 1.649 -1.178 -1.838 0.00 0.00 -0.038 A ATOM 30 C LIG 1 2.396 -0.116 -1.315 0.00 0.00 +0.052 A BRANCH 25 32 ATOM 31 S LIG 1 5.646 1.110 -0.950 0.00 0.00 +0.112 S ATOM 32 N LIG 1 4.394 0.706 -0.171 0.00 0.00 -0.166 NA ATOM 33 O LIG 1 5.668 1.497 -2.344 0.00 0.00 -0.232 OA ATOM 34 C LIG 1 6.956 -0.052 -0.670 0.00 0.00 +0.150 C BRANCH 31 36 ATOM 35 C LIG 1 6.373 2.579 1.247 0.00 0.00 +0.117 C ATOM 36 N LIG 1 6.073 2.558 -0.171 0.00 0.00 -0.234 NA ATOM 37 H LIG 1 5.280 3.164 -0.347 0.00 0.00 +0.138 HD ENDBRANCH 31 36 ENDBRANCH 25 32 ENDBRANCH 24 29 ENDBRANCH 1 24 TORSDOF 7