REMARK Name = BDB025772 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.365 -1.028 0.268 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.666 0.201 0.245 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.726 0.204 0.040 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.463 -0.984 -0.136 0.00 0.00 +0.022 A ATOM 5 C LIG 1 0.744 -2.184 -0.109 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.378 -3.357 -0.259 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.634 -2.210 0.085 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.974 -2.940 -0.950 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -5.025 -1.484 -0.466 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.583 -1.262 0.889 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.929 -1.785 1.076 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.659 -1.538 2.014 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.480 -3.013 2.401 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.267 -0.868 1.808 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.738 -1.182 0.472 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.629 -0.815 -0.641 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.918 -0.953 -0.343 0.00 0.00 +0.021 A ATOM 18 C LIG 1 3.770 -0.108 0.340 0.00 0.00 +0.124 A ATOM 19 N LIG 1 5.111 -0.056 0.167 0.00 0.00 -0.222 NA ATOM 20 C LIG 1 5.663 -0.882 -0.736 0.00 0.00 +0.218 A ATOM 21 N LIG 1 4.923 -1.747 -1.449 0.00 0.00 -0.222 NA ATOM 22 C LIG 1 3.587 -1.763 -1.239 0.00 0.00 +0.124 A BRANCH 20 23 ATOM 23 N LIG 1 7.048 -0.868 -0.911 0.00 0.00 -0.297 N ATOM 24 C LIG 1 7.679 0.404 -0.526 0.00 0.00 +0.123 C ATOM 25 C LIG 1 9.216 0.310 -0.655 0.00 0.00 +0.100 C ATOM 26 N LIG 1 9.672 -0.143 -1.983 0.00 0.00 -0.313 NA ATOM 27 H LIG 1 10.682 -0.276 -1.958 0.00 0.00 +0.122 HD ATOM 28 C LIG 1 9.028 -1.434 -2.293 0.00 0.00 +0.100 C ATOM 29 C LIG 1 7.486 -1.391 -2.214 0.00 0.00 +0.123 C ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 30 ATOM 30 N LIG 1 -1.401 1.397 0.412 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.400 1.261 0.468 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -0.919 2.679 0.542 0.00 0.00 +0.250 C ATOM 33 O LIG 1 0.245 3.046 0.600 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -2.015 3.679 0.683 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -2.849 4.122 -0.429 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -3.813 5.036 -0.202 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -4.027 5.590 1.158 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -4.909 6.409 1.377 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -3.180 5.122 2.132 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -3.313 5.516 3.057 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -2.192 4.196 1.909 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -2.584 3.566 -1.794 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -2.888 2.244 -1.853 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -1.292 3.700 -2.171 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -3.335 4.170 -2.752 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 6