REMARK Name = BDB020140 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.204 -0.526 -1.264 0.00 0.00 +0.073 A ATOM 2 C LIG 1 -0.149 0.411 -0.290 0.00 0.00 +0.143 A ATOM 3 F LIG 1 0.799 1.025 0.438 0.00 0.00 -0.204 F ATOM 4 C LIG 1 -1.491 0.742 -0.042 0.00 0.00 +0.020 A ATOM 5 C LIG 1 -2.490 0.097 -0.789 0.00 0.00 +0.016 A ATOM 6 C LIG 1 -2.164 -0.850 -1.773 0.00 0.00 -0.026 A ATOM 7 C LIG 1 -0.813 -1.153 -2.001 0.00 0.00 +0.021 A ENDROOT BRANCH 4 8 ATOM 8 C LIG 1 -1.853 1.718 0.994 0.00 0.00 +0.015 A ATOM 9 C LIG 1 -1.778 3.113 0.808 0.00 0.00 +0.154 A ATOM 10 N LIG 1 -2.113 3.999 1.798 0.00 0.00 -0.215 NA ATOM 11 C LIG 1 -2.534 3.502 2.976 0.00 0.00 +0.214 A ATOM 12 F LIG 1 -2.860 4.377 3.937 0.00 0.00 -0.184 F ATOM 13 C LIG 1 -2.648 2.155 3.244 0.00 0.00 +0.060 A ATOM 14 C LIG 1 -2.304 1.255 2.241 0.00 0.00 +0.015 A BRANCH 9 15 ATOM 15 C LIG 1 -1.327 3.691 -0.529 0.00 0.00 +0.435 C ATOM 16 F LIG 1 -2.063 3.225 -1.582 0.00 0.00 -0.164 F ATOM 17 F LIG 1 -0.029 3.391 -0.828 0.00 0.00 -0.164 F ATOM 18 F LIG 1 -1.412 5.050 -0.606 0.00 0.00 -0.164 F ENDBRANCH 9 15 ENDBRANCH 4 8 BRANCH 1 21 ATOM 19 N LIG 1 2.607 -0.264 -0.850 0.00 0.00 -0.305 N ATOM 20 H LIG 1 2.361 0.450 -0.174 0.00 0.00 +0.150 HD ATOM 21 C LIG 1 1.616 -0.899 -1.562 0.00 0.00 +0.247 C ATOM 22 O LIG 1 1.852 -1.745 -2.418 0.00 0.00 -0.270 OA BRANCH 19 23 ATOM 23 C LIG 1 4.018 -0.509 -1.092 0.00 0.00 +0.100 C ATOM 24 C LIG 1 4.502 0.219 -2.349 0.00 0.00 +0.033 C BRANCH 23 31 ATOM 25 C LIG 1 5.873 2.980 2.102 0.00 0.00 +0.047 C ATOM 26 C LIG 1 5.716 1.551 1.679 0.00 0.00 -0.015 A ATOM 27 C LIG 1 6.249 0.524 2.458 0.00 0.00 +0.126 A ATOM 28 F LIG 1 6.928 0.816 3.577 0.00 0.00 -0.205 F ATOM 29 C LIG 1 6.085 -0.810 2.103 0.00 0.00 +0.039 A ATOM 30 C LIG 1 5.371 -1.136 0.950 0.00 0.00 +0.008 A ATOM 31 C LIG 1 4.818 -0.128 0.143 0.00 0.00 -0.027 A ATOM 32 C LIG 1 4.988 1.216 0.529 0.00 0.00 +0.011 A ENDBRANCH 23 31 ENDBRANCH 19 23 ENDBRANCH 1 21 BRANCH 6 33 ATOM 33 C LIG 1 -3.252 -1.556 -2.557 0.00 0.00 +0.159 C BRANCH 33 34 ATOM 34 N LIG 1 -3.984 -2.474 -1.711 0.00 0.00 -0.313 N ATOM 35 C LIG 1 -5.190 -2.200 -1.054 0.00 0.00 +0.204 A ATOM 36 N LIG 1 -5.953 -1.169 -1.126 0.00 0.00 -0.268 NA ATOM 37 H LIG 1 -5.577 -0.500 -1.794 0.00 0.00 +0.190 HD ATOM 38 N LIG 1 -5.415 -3.332 -0.266 0.00 0.00 -0.320 N ATOM 39 C LIG 1 -6.627 -3.540 0.486 0.00 0.00 +0.152 C ATOM 40 C LIG 1 -4.409 -4.262 -0.471 0.00 0.00 +0.106 A ATOM 41 C LIG 1 -3.531 -3.737 -1.335 0.00 0.00 +0.107 A ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 7