REMARK Name = BDB035675 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.168 1.826 -0.309 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.576 0.536 -0.669 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.004 -0.535 -0.582 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.920 0.658 -1.247 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.745 -0.337 -1.738 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.001 0.032 -2.244 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.367 1.400 -2.257 0.00 0.00 +0.017 A ATOM 8 C LIG 1 3.516 2.403 -1.750 0.00 0.00 +0.061 A ATOM 9 C LIG 1 2.284 1.999 -1.245 0.00 0.00 -0.006 A ATOM 10 C LIG 1 1.180 2.816 -0.654 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.241 1.530 1.302 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -1.998 1.218 0.703 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.064 2.187 0.304 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.387 3.530 0.529 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -2.604 3.884 1.110 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.515 2.898 1.483 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 -4.295 0.399 1.732 0.00 0.00 +0.059 C ATOM 18 C LIG 1 -4.877 0.508 3.190 0.00 0.00 +0.045 C ATOM 19 C LIG 1 -4.742 -1.014 3.353 0.00 0.00 +0.133 C ATOM 20 C LIG 1 -3.740 -0.995 2.179 0.00 0.00 +0.045 C BRANCH 17 23 ATOM 21 C LIG 1 -4.517 -1.141 -1.143 0.00 0.00 +0.151 C ATOM 22 N LIG 1 -5.511 -0.302 -0.534 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -5.460 0.358 0.662 0.00 0.00 +0.144 A ATOM 24 N LIG 1 -6.583 1.031 0.825 0.00 0.00 -0.134 NA ATOM 25 N LIG 1 -7.390 0.784 -0.258 0.00 0.00 -0.138 NA ATOM 26 C LIG 1 -6.736 -0.022 -1.062 0.00 0.00 +0.224 A ENDBRANCH 17 23 BRANCH 19 27 ATOM 27 S LIG 1 -6.175 -2.082 3.113 0.00 0.00 -0.031 S ATOM 28 O LIG 1 -6.106 -3.132 4.117 0.00 0.00 -0.174 OA ATOM 29 O LIG 1 -6.292 -2.457 1.715 0.00 0.00 -0.174 OA ATOM 30 C LIG 1 -7.587 -1.097 3.529 0.00 0.00 +0.194 C ENDBRANCH 19 27 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 31 ATOM 31 C LIG 1 3.908 3.856 -1.767 0.00 0.00 +0.418 C ATOM 32 F LIG 1 5.176 4.079 -2.207 0.00 0.00 -0.166 F ATOM 33 F LIG 1 3.093 4.596 -2.569 0.00 0.00 -0.166 F ATOM 34 F LIG 1 3.830 4.426 -0.533 0.00 0.00 -0.166 F ENDBRANCH 8 31 BRANCH 6 35 ATOM 35 C LIG 1 4.937 -1.010 -2.820 0.00 0.00 +0.116 C BRANCH 35 36 ATOM 36 N LIG 1 5.071 -2.197 -1.970 0.00 0.00 -0.307 NA ATOM 37 H LIG 1 5.055 -3.022 -2.569 0.00 0.00 +0.123 HD BRANCH 36 38 ATOM 38 C LIG 1 6.232 -2.143 -1.057 0.00 0.00 +0.017 C ATOM 39 C LIG 1 6.343 -3.541 -0.379 0.00 0.00 +0.022 C ATOM 40 C LIG 1 7.302 -3.981 -1.503 0.00 0.00 +0.004 C ATOM 41 C LIG 1 7.536 -2.493 -1.828 0.00 0.00 +0.022 C ATOM 42 C LIG 1 6.251 -0.978 -0.089 0.00 0.00 +0.027 C ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 6 35 TORSDOF 8