REMARK Name = BDB064843 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.571 -1.058 1.344 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -1.021 0.229 1.624 0.00 0.00 +0.136 A ATOM 3 F LIG 1 -0.174 1.178 2.048 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -2.368 0.563 1.471 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -3.291 -0.402 1.046 0.00 0.00 +0.020 A ATOM 6 C LIG 1 -2.828 -1.702 0.778 0.00 0.00 +0.012 A ATOM 7 C LIG 1 -1.479 -2.036 0.937 0.00 0.00 +0.016 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 5.055 0.897 -1.569 0.00 0.00 +0.282 C ATOM 9 N LIG 1 4.040 0.360 -0.761 0.00 0.00 -0.289 N ATOM 10 C LIG 1 2.704 0.161 -1.356 0.00 0.00 +0.091 C ATOM 11 C LIG 1 2.649 -1.113 -2.208 0.00 0.00 +0.029 C ATOM 12 C LIG 1 1.589 0.166 -0.287 0.00 0.00 +0.130 C ATOM 13 N LIG 1 1.831 -0.770 0.820 0.00 0.00 -0.294 N ATOM 14 C LIG 1 0.841 -1.432 1.538 0.00 0.00 +0.249 C ATOM 15 O LIG 1 1.077 -2.346 2.325 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 3.223 -1.118 1.101 0.00 0.00 +0.127 C ATOM 17 C LIG 1 4.218 -0.049 0.638 0.00 0.00 +0.127 C ATOM 18 O LIG 1 4.855 1.072 -2.773 0.00 0.00 -0.267 OA BRANCH 8 22 ATOM 19 C LIG 1 9.862 1.177 -1.500 0.00 0.00 +0.086 C ATOM 20 C LIG 1 8.525 1.395 -0.914 0.00 0.00 +0.103 A ATOM 21 O LIG 1 7.469 0.969 -1.657 0.00 0.00 -0.455 OA ATOM 22 C LIG 1 6.324 1.248 -0.955 0.00 0.00 +0.190 A ATOM 23 C LIG 1 6.668 1.884 0.226 0.00 0.00 +0.055 A ATOM 24 C LIG 1 8.082 1.966 0.257 0.00 0.00 +0.045 A ENDBRANCH 8 22 ENDBRANCH 1 14 BRANCH 5 25 ATOM 25 C LIG 1 -4.714 -0.100 0.867 0.00 0.00 +0.139 A ATOM 26 N LIG 1 -5.363 0.969 1.443 0.00 0.00 -0.338 N ATOM 27 H LIG 1 -4.945 1.650 2.059 0.00 0.00 +0.167 HD ATOM 28 C LIG 1 -6.683 0.944 1.071 0.00 0.00 +0.067 A ATOM 29 C LIG 1 -6.796 -0.180 0.261 0.00 0.00 +0.102 A ATOM 30 C LIG 1 -8.051 -0.498 -0.296 0.00 0.00 +0.064 A ATOM 31 C LIG 1 -9.143 0.340 -0.004 0.00 0.00 +0.015 A ATOM 32 C LIG 1 -8.994 1.461 0.816 0.00 0.00 +0.003 A ATOM 33 C LIG 1 -7.754 1.788 1.375 0.00 0.00 +0.028 A ATOM 34 N LIG 1 -5.569 -0.812 0.154 0.00 0.00 -0.227 NA BRANCH 30 35 ATOM 35 C LIG 1 -8.252 -1.676 -1.172 0.00 0.00 +0.244 C ATOM 36 O LIG 1 -9.351 -1.943 -1.644 0.00 0.00 -0.270 OA ATOM 37 N LIG 1 -7.165 -2.457 -1.437 0.00 0.00 -0.325 N ATOM 38 H LIG 1 -6.251 -2.235 -1.049 0.00 0.00 +0.145 HD ATOM 39 H LIG 1 -7.275 -3.263 -2.033 0.00 0.00 +0.145 HD ENDBRANCH 30 35 ENDBRANCH 5 25 TORSDOF 4