REMARK Name = BDB009482 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.523 -1.709 0.147 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.656 -2.694 -0.827 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.361 -2.998 -1.646 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.855 -3.386 -0.967 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.925 -3.102 -0.115 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.803 -2.123 0.885 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.584 -1.442 1.022 0.00 0.00 +0.020 A ENDROOT BRANCH 1 10 ATOM 8 C LIG 1 0.655 -0.018 -1.989 0.00 0.00 +0.132 C ATOM 9 N LIG 1 1.330 -0.295 -0.725 0.00 0.00 -0.297 N ATOM 10 C LIG 1 0.751 -0.992 0.339 0.00 0.00 +0.249 C ATOM 11 O LIG 1 1.239 -1.028 1.468 0.00 0.00 -0.270 OA BRANCH 9 12 ATOM 12 C LIG 1 2.691 0.254 -0.576 0.00 0.00 +0.079 C ATOM 13 C LIG 1 2.760 1.388 0.467 0.00 0.00 +0.041 C ATOM 14 C LIG 1 3.915 1.192 1.442 0.00 0.00 +0.110 C ATOM 15 N LIG 1 5.152 0.921 0.714 0.00 0.00 -0.295 N ATOM 16 C LIG 1 6.126 1.931 0.640 0.00 0.00 +0.282 C ATOM 17 O LIG 1 5.902 3.051 1.101 0.00 0.00 -0.267 OA ATOM 18 C LIG 1 5.134 -0.241 -0.176 0.00 0.00 +0.110 C ATOM 19 C LIG 1 3.741 -0.847 -0.341 0.00 0.00 +0.041 C BRANCH 16 20 ATOM 20 C LIG 1 7.395 1.615 0.003 0.00 0.00 +0.189 A ATOM 21 O LIG 1 7.995 2.592 -0.749 0.00 0.00 -0.458 OA ATOM 22 C LIG 1 9.161 2.087 -1.223 0.00 0.00 +0.196 A ATOM 23 C LIG 1 9.341 0.799 -0.784 0.00 0.00 +0.042 A ATOM 24 C LIG 1 8.212 0.496 0.015 0.00 0.00 +0.054 A ENDBRANCH 16 20 ENDBRANCH 9 12 ENDBRANCH 1 10 BRANCH 6 25 ATOM 25 C LIG 1 -3.949 -1.844 1.835 0.00 0.00 +0.094 C BRANCH 25 26 ATOM 26 C LIG 1 -5.243 -1.470 1.122 0.00 0.00 +0.087 A ATOM 27 C LIG 1 -5.439 -0.051 0.663 0.00 0.00 +0.059 A ATOM 28 N LIG 1 -4.451 0.915 0.824 0.00 0.00 -0.342 N ATOM 29 H LIG 1 -3.505 0.543 0.843 0.00 0.00 +0.146 HD ATOM 30 C LIG 1 -4.558 2.200 0.140 0.00 0.00 +0.102 C ATOM 31 C LIG 1 -6.006 2.681 0.189 0.00 0.00 +0.023 C ATOM 32 C LIG 1 -6.961 1.620 -0.374 0.00 0.00 +0.044 C ATOM 33 C LIG 1 -6.623 0.233 0.098 0.00 0.00 +0.041 A ATOM 34 C LIG 1 -7.635 -0.829 -0.095 0.00 0.00 +0.270 A ATOM 35 O LIG 1 -8.717 -0.601 -0.626 0.00 0.00 -0.266 OA ATOM 36 N LIG 1 -7.284 -2.080 0.338 0.00 0.00 -0.243 N ATOM 37 H LIG 1 -7.970 -2.820 0.221 0.00 0.00 +0.192 HD ATOM 38 N LIG 1 -6.118 -2.418 0.953 0.00 0.00 -0.174 NA ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 5