REMARK Name = BDB025909 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.627 -0.994 0.283 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.763 0.128 0.187 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.626 -0.037 0.220 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.193 -1.314 0.348 0.00 0.00 +0.015 A ATOM 5 C LIG 1 0.331 -2.412 0.443 0.00 0.00 +0.133 A ATOM 6 F LIG 1 0.824 -3.658 0.534 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.055 -2.262 0.412 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.185 -3.242 -1.597 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.697 -1.805 -1.434 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.787 -1.803 -0.423 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.959 -1.082 -0.927 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -5.357 -1.263 0.895 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -6.191 -1.906 2.009 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.852 -1.495 1.195 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -3.022 -0.787 0.203 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.537 -0.802 -1.188 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.660 -1.470 0.387 0.00 0.00 -0.038 C ATOM 18 C LIG 1 3.280 -2.220 1.536 0.00 0.00 +0.054 C ATOM 19 C LIG 1 4.678 -2.729 1.184 0.00 0.00 +0.113 C ATOM 20 N LIG 1 5.492 -1.698 0.546 0.00 0.00 -0.296 N ATOM 21 C LIG 1 6.854 -1.662 0.840 0.00 0.00 +0.230 C ATOM 22 O LIG 1 7.358 -2.379 1.712 0.00 0.00 -0.274 OA ATOM 23 C LIG 1 4.930 -1.050 -0.636 0.00 0.00 +0.135 C ATOM 24 C LIG 1 3.433 -0.967 -0.594 0.00 0.00 -0.004 C BRANCH 21 25 ATOM 25 C LIG 1 7.753 -0.698 0.047 0.00 0.00 +0.180 C BRANCH 25 26 ATOM 26 N LIG 1 7.517 0.716 0.417 0.00 0.00 -0.300 NA ATOM 27 C LIG 1 8.308 1.592 -0.449 0.00 0.00 +0.105 C ATOM 28 C LIG 1 7.865 0.957 1.821 0.00 0.00 +0.105 C ENDBRANCH 25 26 ENDBRANCH 21 25 ENDBRANCH 4 17 BRANCH 2 29 ATOM 29 N LIG 1 -1.400 1.383 0.088 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -2.413 1.300 0.137 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -0.826 2.622 -0.041 0.00 0.00 +0.250 C ATOM 32 O LIG 1 0.361 2.906 -0.102 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -1.846 3.704 -0.095 0.00 0.00 +0.065 A ATOM 34 C LIG 1 -2.555 4.071 -1.315 0.00 0.00 +0.073 A ATOM 35 C LIG 1 -3.463 5.066 -1.271 0.00 0.00 +0.083 A ATOM 36 C LIG 1 -3.743 5.781 -0.000 0.00 0.00 +0.249 A ATOM 37 O LIG 1 -4.576 6.675 0.053 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -3.014 5.369 1.088 0.00 0.00 -0.328 N ATOM 39 H LIG 1 -3.192 5.868 1.953 0.00 0.00 +0.168 HD ATOM 40 C LIG 1 -2.083 4.360 1.051 0.00 0.00 +0.099 A BRANCH 34 41 ATOM 41 C LIG 1 -2.233 3.337 -2.579 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -2.567 2.024 -2.491 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -2.919 3.828 -3.645 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -0.921 3.401 -2.903 0.00 0.00 -0.166 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 7