REMARK Name = BDB038380 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.855 0.841 -0.920 0.00 0.00 -0.032 A ATOM 2 C LIG 1 -3.782 2.254 -0.941 0.00 0.00 +0.017 A ATOM 3 C LIG 1 -2.548 2.932 -1.006 0.00 0.00 +0.061 A ATOM 4 C LIG 1 -1.394 2.156 -1.054 0.00 0.00 -0.006 A ATOM 5 C LIG 1 0.038 2.576 -1.129 0.00 0.00 +0.150 C ATOM 6 N LIG 1 0.767 1.316 -1.135 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.107 0.224 -1.106 0.00 0.00 +0.251 C ATOM 8 O LIG 1 0.104 -0.974 -1.149 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -1.469 0.768 -1.041 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -2.672 0.089 -0.978 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 2.188 1.265 -1.153 0.00 0.00 +0.038 A ATOM 12 C LIG 1 2.885 0.059 -0.989 0.00 0.00 +0.032 A ATOM 13 C LIG 1 4.292 0.005 -1.000 0.00 0.00 -0.015 A ATOM 14 C LIG 1 5.010 1.190 -1.199 0.00 0.00 +0.008 A ATOM 15 C LIG 1 4.340 2.399 -1.355 0.00 0.00 +0.002 A ATOM 16 C LIG 1 2.943 2.435 -1.325 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 4.987 -1.279 -0.812 0.00 0.00 -0.007 A ATOM 18 C LIG 1 5.602 -1.645 0.406 0.00 0.00 +0.027 A ATOM 19 C LIG 1 6.237 -2.895 0.518 0.00 0.00 +0.012 A ATOM 20 C LIG 1 6.278 -3.775 -0.564 0.00 0.00 +0.001 A ATOM 21 C LIG 1 5.681 -3.418 -1.768 0.00 0.00 +0.001 A ATOM 22 C LIG 1 5.039 -2.185 -1.889 0.00 0.00 +0.009 A BRANCH 18 23 ATOM 23 C LIG 1 5.589 -0.765 1.572 0.00 0.00 +0.164 A ATOM 24 N LIG 1 6.665 -0.048 2.034 0.00 0.00 -0.317 N ATOM 25 C LIG 1 7.987 0.002 1.470 0.00 0.00 +0.152 C ATOM 26 C LIG 1 6.237 0.627 3.134 0.00 0.00 +0.225 A ATOM 27 N LIG 1 4.975 0.348 3.354 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 4.566 -0.525 2.371 0.00 0.00 -0.129 NA ENDBRANCH 18 23 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 29 ATOM 29 C LIG 1 -2.470 4.435 -1.023 0.00 0.00 +0.418 C ATOM 30 F LIG 1 -1.825 4.905 -2.126 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -1.786 4.929 0.044 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -3.685 5.047 -1.009 0.00 0.00 -0.166 F ENDBRANCH 3 29 BRANCH 1 33 ATOM 33 C LIG 1 -5.201 0.142 -0.864 0.00 0.00 +0.119 C BRANCH 33 39 ATOM 34 C LIG 1 -8.041 -3.372 1.115 0.00 0.00 +0.039 C ATOM 35 C LIG 1 -6.930 -2.360 1.357 0.00 0.00 +0.129 C ATOM 36 O LIG 1 -7.443 -1.367 2.263 0.00 0.00 -0.374 OA ATOM 37 C LIG 1 -6.799 -0.093 2.135 0.00 0.00 +0.175 C ATOM 38 C LIG 1 -5.372 -0.180 1.572 0.00 0.00 +0.113 C ATOM 39 N LIG 1 -5.302 -0.819 0.241 0.00 0.00 -0.294 NA ATOM 40 C LIG 1 -6.450 -1.729 0.033 0.00 0.00 +0.116 C ENDBRANCH 33 39 ENDBRANCH 1 33 TORSDOF 6