REMARK Name = BDB018619 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.109 1.562 0.207 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -1.096 2.878 -0.244 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.328 3.801 0.352 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.862 3.247 -1.344 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.660 2.295 -1.984 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.712 0.969 -1.518 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.916 0.606 -0.420 0.00 0.00 +0.020 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 5.071 -0.014 1.308 0.00 0.00 +0.242 A ATOM 9 N LIG 1 3.758 0.322 1.111 0.00 0.00 -0.300 N ATOM 10 C LIG 1 3.028 0.503 -0.130 0.00 0.00 +0.105 C ATOM 11 C LIG 1 1.847 1.459 0.111 0.00 0.00 +0.133 C ATOM 12 N LIG 1 1.059 1.071 1.289 0.00 0.00 -0.288 N ATOM 13 C LIG 1 1.780 0.896 2.557 0.00 0.00 +0.184 C ATOM 14 C LIG 1 -0.327 1.175 1.388 0.00 0.00 +0.250 C ATOM 15 O LIG 1 -0.955 0.925 2.413 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 2.548 -0.839 -0.686 0.00 0.00 +0.032 C ATOM 17 C LIG 1 3.196 0.491 2.349 0.00 0.00 +0.152 A ATOM 18 N LIG 1 4.116 0.269 3.261 0.00 0.00 -0.132 NA ATOM 19 N LIG 1 5.288 -0.049 2.612 0.00 0.00 -0.122 NA BRANCH 8 20 ATOM 20 C LIG 1 6.064 -0.290 0.297 0.00 0.00 +0.377 C ATOM 21 O LIG 1 5.870 -0.243 -0.913 0.00 0.00 -0.241 OA BRANCH 20 22 ATOM 22 O LIG 1 7.255 -0.614 0.875 0.00 0.00 -0.459 OA BRANCH 22 24 ATOM 23 C LIG 1 8.299 -2.380 -0.410 0.00 0.00 +0.048 C ATOM 24 C LIG 1 8.335 -0.914 -0.019 0.00 0.00 +0.229 C ENDBRANCH 22 24 ENDBRANCH 20 22 ENDBRANCH 8 20 ENDBRANCH 1 14 BRANCH 6 25 ATOM 25 C LIG 1 -3.571 -0.046 -2.242 0.00 0.00 +0.093 C BRANCH 25 26 ATOM 26 C LIG 1 -4.267 -1.044 -1.327 0.00 0.00 +0.074 A ATOM 27 C LIG 1 -5.456 -0.629 -0.539 0.00 0.00 +0.011 A ATOM 28 C LIG 1 -6.044 -1.594 0.277 0.00 0.00 +0.050 A ATOM 29 C LIG 1 -7.167 -1.284 1.054 0.00 0.00 +0.014 A ATOM 30 C LIG 1 -7.703 0.003 1.014 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -7.119 0.973 0.200 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -5.472 -2.949 0.316 0.00 0.00 +0.272 A ATOM 33 O LIG 1 -5.964 -3.833 1.008 0.00 0.00 -0.266 OA ATOM 34 N LIG 1 -4.365 -3.160 -0.469 0.00 0.00 -0.242 N ATOM 35 H LIG 1 -3.956 -4.089 -0.452 0.00 0.00 +0.192 HD ATOM 36 C LIG 1 -5.998 0.661 -0.576 0.00 0.00 +0.010 A ATOM 37 N LIG 1 -3.767 -2.244 -1.277 0.00 0.00 -0.175 NA ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 6