REMARK Name = BDB039937 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.126 -0.294 0.531 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.973 -0.507 1.370 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.091 -1.161 2.390 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.098 0.247 0.801 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.394 0.352 1.270 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.298 1.142 0.543 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.860 1.797 -0.632 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.535 1.679 -1.097 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.665 0.889 -0.352 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.223 0.574 -0.586 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.760 -1.050 -0.110 0.00 0.00 -0.006 A ATOM 12 C LIG 1 -2.451 -0.535 -0.233 0.00 0.00 +0.030 A ATOM 13 C LIG 1 -1.435 -0.828 0.695 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.764 -1.657 1.771 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.053 -2.175 1.915 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.044 -1.877 0.982 0.00 0.00 +0.007 A BRANCH 11 17 ATOM 17 C LIG 1 -4.804 -0.689 -1.168 0.00 0.00 +0.172 C ATOM 18 F LIG 1 -4.148 -0.255 -2.311 0.00 0.00 -0.234 F ATOM 19 C LIG 1 -5.605 -1.909 -1.639 0.00 0.00 +0.056 C BRANCH 17 20 ATOM 20 C LIG 1 -5.719 0.494 -0.753 0.00 0.00 +0.274 C ATOM 21 F LIG 1 -6.393 0.919 -1.871 0.00 0.00 -0.233 F BRANCH 20 24 ATOM 22 C LIG 1 -8.831 0.163 -1.035 0.00 0.00 +0.151 C ATOM 23 N LIG 1 -8.056 0.042 0.172 0.00 0.00 -0.318 N ATOM 24 C LIG 1 -6.699 0.188 0.334 0.00 0.00 +0.171 A ATOM 25 N LIG 1 -6.423 0.040 1.616 0.00 0.00 -0.132 NA ATOM 26 N LIG 1 -7.586 -0.249 2.283 0.00 0.00 -0.138 NA ATOM 27 C LIG 1 -8.560 -0.235 1.406 0.00 0.00 +0.224 A ENDBRANCH 20 24 ENDBRANCH 17 20 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 2.071 2.372 -2.350 0.00 0.00 +0.418 C ATOM 29 F LIG 1 1.018 3.203 -2.119 0.00 0.00 -0.166 F ATOM 30 F LIG 1 3.028 3.134 -2.945 0.00 0.00 -0.166 F ATOM 31 F LIG 1 1.646 1.491 -3.297 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 5.731 1.288 1.019 0.00 0.00 +0.119 C BRANCH 32 33 ATOM 33 N LIG 1 6.449 0.002 0.996 0.00 0.00 -0.292 NA ATOM 34 C LIG 1 7.845 0.192 1.450 0.00 0.00 +0.126 C ATOM 35 C LIG 1 8.316 0.291 -0.021 0.00 0.00 +0.134 C ATOM 36 F LIG 1 8.523 1.554 -0.477 0.00 0.00 -0.240 F ATOM 37 C LIG 1 9.516 -0.563 -0.384 0.00 0.00 +0.050 C ATOM 38 C LIG 1 6.935 -0.314 -0.368 0.00 0.00 +0.126 C ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 7