REMARK Name = BDB019637 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.607 1.155 0.954 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.069 2.096 0.166 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.461 2.023 -0.003 0.00 0.00 -0.015 A ATOM 4 C LIG 1 -2.164 0.989 0.635 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -1.507 0.056 1.452 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -0.117 0.145 1.600 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.170 2.995 -0.843 0.00 0.00 +0.012 A ATOM 8 C LIG 1 -2.513 4.291 -0.415 0.00 0.00 +0.151 A ATOM 9 N LIG 1 -3.165 5.178 -1.233 0.00 0.00 -0.250 NA ATOM 10 C LIG 1 -3.496 4.777 -2.478 0.00 0.00 +0.111 A ATOM 11 C LIG 1 -3.208 3.523 -2.975 0.00 0.00 +0.020 A ATOM 12 C LIG 1 -2.539 2.627 -2.148 0.00 0.00 +0.012 A BRANCH 8 13 ATOM 13 C LIG 1 -2.158 4.758 0.993 0.00 0.00 +0.435 C ATOM 14 F LIG 1 -0.808 4.841 1.194 0.00 0.00 -0.164 F ATOM 15 F LIG 1 -2.643 5.996 1.305 0.00 0.00 -0.164 F ATOM 16 F LIG 1 -2.631 3.931 1.971 0.00 0.00 -0.164 F ENDBRANCH 8 13 ENDBRANCH 3 7 BRANCH 1 19 ATOM 17 N LIG 1 2.824 1.810 0.163 0.00 0.00 -0.307 N ATOM 18 H LIG 1 2.388 2.016 -0.724 0.00 0.00 +0.149 HD ATOM 19 C LIG 1 2.084 1.195 1.151 0.00 0.00 +0.244 C ATOM 20 O LIG 1 2.583 0.662 2.137 0.00 0.00 -0.270 OA BRANCH 17 21 ATOM 21 C LIG 1 4.270 1.786 0.182 0.00 0.00 +0.139 C BRANCH 21 28 ATOM 22 C LIG 1 5.369 -3.075 -0.518 0.00 0.00 +0.045 C ATOM 23 C LIG 1 5.318 -1.675 -1.063 0.00 0.00 -0.032 A ATOM 24 C LIG 1 5.716 -1.373 -2.373 0.00 0.00 +0.044 A ATOM 25 CL LIG 1 6.292 -2.596 -3.449 0.00 0.00 -0.083 Cl ATOM 26 C LIG 1 5.654 -0.061 -2.850 0.00 0.00 +0.020 A ATOM 27 C LIG 1 5.193 0.967 -2.025 0.00 0.00 +0.006 A ATOM 28 C LIG 1 4.796 0.692 -0.712 0.00 0.00 -0.030 A ATOM 29 C LIG 1 4.857 -0.631 -0.244 0.00 0.00 +0.010 A ENDBRANCH 21 28 ENDBRANCH 17 21 ENDBRANCH 1 19 BRANCH 5 30 ATOM 30 C LIG 1 -2.284 -1.052 2.121 0.00 0.00 +0.138 C BRANCH 30 31 ATOM 31 N LIG 1 -2.439 -2.148 1.187 0.00 0.00 -0.329 N ATOM 32 H LIG 1 -1.627 -2.334 0.611 0.00 0.00 +0.147 HD BRANCH 31 33 ATOM 33 C LIG 1 -3.247 -3.212 1.473 0.00 0.00 +0.090 C ATOM 34 C LIG 1 -3.137 -4.466 0.650 0.00 0.00 +0.073 C ATOM 35 C LIG 1 -4.470 -5.094 0.972 0.00 0.00 +0.031 C ATOM 36 C LIG 1 -4.736 -4.583 2.375 0.00 0.00 +0.143 C ATOM 37 N LIG 1 -4.120 -3.244 2.433 0.00 0.00 -0.273 NA ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 8