REMARK Name = BDB017555 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.729 2.453 0.849 0.00 0.00 +0.044 C ATOM 2 C LIG 1 -2.426 0.978 0.805 0.00 0.00 -0.039 A ATOM 3 C LIG 1 -3.394 -0.028 0.558 0.00 0.00 +0.023 A ATOM 4 C LIG 1 -2.985 -1.370 0.714 0.00 0.00 +0.051 A ATOM 5 N LIG 1 -3.924 -2.406 0.662 0.00 0.00 -0.322 N ATOM 6 H LIG 1 -3.638 -3.360 0.833 0.00 0.00 +0.169 HD ATOM 7 C LIG 1 -5.263 -2.211 0.510 0.00 0.00 +0.254 A ATOM 8 C LIG 1 -5.702 -0.825 0.216 0.00 0.00 +0.038 A ATOM 9 C LIG 1 -7.161 -0.646 -0.115 0.00 0.00 +0.044 C ATOM 10 C LIG 1 -7.576 0.826 -0.164 0.00 0.00 +0.023 C ATOM 11 C LIG 1 -6.532 1.643 -0.910 0.00 0.00 +0.102 C ATOM 12 N LIG 1 -5.226 1.451 -0.288 0.00 0.00 -0.343 N ATOM 13 H LIG 1 -4.486 1.909 -0.812 0.00 0.00 +0.146 HD ATOM 14 O LIG 1 -6.055 -3.147 0.569 0.00 0.00 -0.268 OA ATOM 15 C LIG 1 -1.657 -1.718 0.978 0.00 0.00 +0.031 A ATOM 16 C LIG 1 -0.685 -0.729 1.125 0.00 0.00 -0.031 A ATOM 17 C LIG 1 -4.822 0.198 0.175 0.00 0.00 +0.045 A ATOM 18 C LIG 1 -1.083 0.609 1.054 0.00 0.00 +0.009 A ENDROOT BRANCH 16 19 ATOM 19 C LIG 1 0.755 -1.096 1.415 0.00 0.00 +0.119 C BRANCH 19 20 ATOM 20 N LIG 1 1.324 -2.034 0.433 0.00 0.00 -0.295 NA ATOM 21 C LIG 1 1.490 -1.422 -0.911 0.00 0.00 +0.103 C ATOM 22 C LIG 1 2.615 -0.364 -1.016 0.00 0.00 +0.122 C ATOM 23 N LIG 1 3.897 -0.940 -0.560 0.00 0.00 -0.312 N ATOM 24 C LIG 1 3.805 -1.504 0.803 0.00 0.00 +0.122 C ATOM 25 C LIG 1 2.648 -2.532 0.880 0.00 0.00 +0.103 C BRANCH 23 26 ATOM 26 C LIG 1 4.974 -0.034 -0.661 0.00 0.00 +0.140 A ATOM 27 C LIG 1 6.292 -0.492 -0.848 0.00 0.00 +0.081 A ATOM 28 CL LIG 1 6.686 -2.165 -1.034 0.00 0.00 -0.080 Cl ATOM 29 C LIG 1 7.337 0.432 -0.930 0.00 0.00 +0.037 A ATOM 30 C LIG 1 7.066 1.797 -0.826 0.00 0.00 +0.074 A ATOM 31 C LIG 1 5.743 2.170 -0.660 0.00 0.00 +0.125 A ATOM 32 N LIG 1 4.712 1.295 -0.575 0.00 0.00 -0.238 NA BRANCH 30 33 ATOM 33 C LIG 1 8.134 2.839 -0.932 0.00 0.00 +0.419 C ATOM 34 F LIG 1 8.259 3.325 -2.197 0.00 0.00 -0.166 F ATOM 35 F LIG 1 7.902 3.919 -0.137 0.00 0.00 -0.166 F ATOM 36 F LIG 1 9.367 2.378 -0.583 0.00 0.00 -0.166 F ENDBRANCH 30 33 ENDBRANCH 23 26 ENDBRANCH 19 20 ENDBRANCH 16 19 TORSDOF 4