REMARK Name = BDB064097 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.973 0.065 0.298 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.569 0.697 1.471 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.520 1.478 1.494 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.282 0.511 2.651 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.422 -0.295 2.655 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.869 -0.909 1.474 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -2.127 -0.731 0.295 0.00 0.00 +0.020 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 5.205 0.611 -1.188 0.00 0.00 +0.167 A ATOM 9 N LIG 1 3.890 0.310 -0.978 0.00 0.00 -0.308 N ATOM 10 C LIG 1 3.231 -0.177 0.210 0.00 0.00 +0.144 C ATOM 11 C LIG 1 1.873 -0.785 -0.134 0.00 0.00 +0.130 C ATOM 12 N LIG 1 1.120 0.092 -1.037 0.00 0.00 -0.288 N ATOM 13 C LIG 1 1.763 0.389 -2.323 0.00 0.00 +0.184 C ATOM 14 C LIG 1 -0.258 0.286 -0.973 0.00 0.00 +0.250 C ATOM 15 O LIG 1 -0.928 0.643 -1.939 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 3.232 0.562 -2.156 0.00 0.00 +0.151 A ATOM 17 N LIG 1 4.113 0.934 -3.059 0.00 0.00 -0.132 NA ATOM 18 N LIG 1 5.349 0.959 -2.453 0.00 0.00 -0.129 NA BRANCH 8 23 ATOM 19 C LIG 1 9.820 0.951 0.809 0.00 0.00 +0.172 C ATOM 20 N LIG 1 8.402 0.746 0.642 0.00 0.00 -0.274 N ATOM 21 N LIG 1 7.652 0.383 1.702 0.00 0.00 -0.179 NA ATOM 22 C LIG 1 6.418 0.293 1.194 0.00 0.00 +0.146 A ATOM 23 C LIG 1 6.381 0.583 -0.180 0.00 0.00 +0.057 A ATOM 24 C LIG 1 7.684 0.879 -0.508 0.00 0.00 +0.119 A ENDBRANCH 8 23 ENDBRANCH 1 14 BRANCH 6 25 ATOM 25 C LIG 1 -4.099 -1.792 1.508 0.00 0.00 +0.093 C BRANCH 25 26 ATOM 26 C LIG 1 -4.986 -1.684 0.275 0.00 0.00 +0.074 A ATOM 27 C LIG 1 -5.856 -0.495 0.084 0.00 0.00 +0.011 A ATOM 28 C LIG 1 -6.640 -0.460 -1.068 0.00 0.00 +0.050 A ATOM 29 C LIG 1 -7.486 0.626 -1.324 0.00 0.00 +0.014 A ATOM 30 C LIG 1 -7.546 1.685 -0.419 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -6.764 1.657 0.735 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -6.571 -1.582 -2.018 0.00 0.00 +0.272 A ATOM 33 O LIG 1 -7.252 -1.600 -3.037 0.00 0.00 -0.266 OA ATOM 34 N LIG 1 -5.709 -2.599 -1.690 0.00 0.00 -0.242 N ATOM 35 H LIG 1 -5.647 -3.379 -2.338 0.00 0.00 +0.192 HD ATOM 36 C LIG 1 -5.921 0.571 0.990 0.00 0.00 +0.010 A ATOM 37 N LIG 1 -4.932 -2.666 -0.577 0.00 0.00 -0.175 NA ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 4