REMARK Name = BDB002896 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.355 0.212 1.254 0.00 0.00 +0.142 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.147 0.195 1.010 0.00 0.00 +0.053 A ATOM 3 C LIG 1 1.768 0.399 -0.226 0.00 0.00 +0.170 A ATOM 4 F LIG 1 1.059 0.757 -1.306 0.00 0.00 -0.202 F ATOM 5 C LIG 1 3.155 0.276 -0.386 0.00 0.00 +0.203 A ATOM 6 F LIG 1 3.668 0.509 -1.604 0.00 0.00 -0.199 F ATOM 7 C LIG 1 3.977 -0.061 0.686 0.00 0.00 +0.197 A ATOM 8 C LIG 1 3.369 -0.261 1.924 0.00 0.00 +0.203 A ATOM 9 F LIG 1 4.119 -0.574 2.993 0.00 0.00 -0.199 F ATOM 10 C LIG 1 1.987 -0.139 2.081 0.00 0.00 +0.170 A ATOM 11 F LIG 1 1.465 -0.343 3.301 0.00 0.00 -0.202 F BRANCH 7 12 ATOM 12 O LIG 1 5.337 -0.208 0.668 0.00 0.00 -0.477 OA BRANCH 12 13 ATOM 13 C LIG 1 6.007 -0.105 -0.596 0.00 0.00 +0.342 C BRANCH 13 14 ATOM 14 C LIG 1 7.496 -0.373 -0.436 0.00 0.00 +0.424 C ATOM 15 F LIG 1 8.123 -0.270 -1.632 0.00 0.00 -0.167 F ATOM 16 F LIG 1 8.078 0.515 0.400 0.00 0.00 -0.167 F ATOM 17 F LIG 1 7.735 -1.615 0.038 0.00 0.00 -0.167 F ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 7 12 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 C LIG 1 -1.276 1.244 0.591 0.00 0.00 +0.021 A ATOM 19 C LIG 1 -2.680 1.125 0.657 0.00 0.00 +0.148 A ATOM 20 C LIG 1 -3.568 2.049 0.100 0.00 0.00 +0.113 A ATOM 21 C LIG 1 -3.034 3.186 -0.527 0.00 0.00 +0.004 A ATOM 22 C LIG 1 -3.929 4.109 -1.086 0.00 0.00 +0.011 A ATOM 23 C LIG 1 -5.297 3.881 -1.003 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -5.728 2.737 -0.356 0.00 0.00 +0.111 A ATOM 25 C LIG 1 -1.646 3.374 -0.556 0.00 0.00 +0.010 A ATOM 26 N LIG 1 -4.897 1.825 0.198 0.00 0.00 -0.251 NA ATOM 27 C LIG 1 -0.787 2.427 0.015 0.00 0.00 +0.010 A BRANCH 19 28 ATOM 28 O LIG 1 -3.254 0.064 1.341 0.00 0.00 -0.504 OA ATOM 29 H LIG 1 -4.220 0.208 1.212 0.00 0.00 +0.292 HD ENDBRANCH 19 28 ENDBRANCH 1 18 BRANCH 1 30 ATOM 30 N LIG 1 -0.881 -1.164 1.266 0.00 0.00 -0.318 N ATOM 31 H LIG 1 -1.827 -1.116 1.657 0.00 0.00 +0.148 HD BRANCH 30 34 ATOM 32 C LIG 1 -2.059 -3.776 1.434 0.00 0.00 +0.047 C ATOM 33 C LIG 1 -1.555 -3.194 0.143 0.00 0.00 -0.009 A ATOM 34 C LIG 1 -0.983 -1.909 0.087 0.00 0.00 +0.122 A ATOM 35 N LIG 1 -0.513 -1.408 -1.069 0.00 0.00 -0.239 NA ATOM 36 C LIG 1 -0.633 -2.150 -2.196 0.00 0.00 +0.132 A ATOM 37 C LIG 1 -1.198 -3.408 -2.230 0.00 0.00 +0.059 A ATOM 38 CL LIG 1 -1.314 -4.289 -3.697 0.00 0.00 -0.082 Cl ATOM 39 C LIG 1 -1.666 -3.940 -1.040 0.00 0.00 +0.028 A ENDBRANCH 30 34 ENDBRANCH 1 30 TORSDOF 8