REMARK Name = BDB019579 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.198 -1.679 -0.853 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -1.063 -2.694 -1.268 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -2.322 -2.837 -0.669 0.00 0.00 -0.015 A ATOM 4 C LIG 1 -2.688 -1.945 0.356 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -1.810 -0.943 0.801 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -0.556 -0.820 0.190 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -3.247 -3.888 -1.108 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -3.128 -5.231 -0.710 0.00 0.00 +0.049 A ATOM 9 C LIG 1 -2.026 -5.686 0.207 0.00 0.00 +0.066 C ATOM 10 N LIG 1 -3.987 -6.203 -1.116 0.00 0.00 -0.224 NA ATOM 11 C LIG 1 -4.992 -5.840 -1.937 0.00 0.00 +0.213 A ATOM 12 F LIG 1 -5.840 -6.797 -2.340 0.00 0.00 -0.184 F ATOM 13 C LIG 1 -5.196 -4.550 -2.383 0.00 0.00 +0.060 A ATOM 14 C LIG 1 -4.312 -3.563 -1.961 0.00 0.00 +0.014 A ENDBRANCH 3 7 BRANCH 1 16 ATOM 15 N LIG 1 1.484 -0.370 -2.105 0.00 0.00 -0.296 N ATOM 16 C LIG 1 1.132 -1.567 -1.486 0.00 0.00 +0.247 C ATOM 17 O LIG 1 1.869 -2.547 -1.417 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 0.574 0.749 -2.321 0.00 0.00 +0.132 C BRANCH 15 19 ATOM 19 C LIG 1 2.888 -0.161 -2.448 0.00 0.00 +0.143 C BRANCH 19 24 ATOM 20 C LIG 1 4.492 1.190 0.739 0.00 0.00 +0.124 A ATOM 21 C LIG 1 4.793 2.497 0.358 0.00 0.00 +0.091 A ATOM 22 C LIG 1 4.490 2.954 -0.930 0.00 0.00 +0.124 A ATOM 23 C LIG 1 3.880 2.093 -1.843 0.00 0.00 +0.051 A ATOM 24 C LIG 1 3.571 0.774 -1.477 0.00 0.00 -0.023 A ATOM 25 C LIG 1 3.881 0.336 -0.181 0.00 0.00 +0.051 A BRANCH 20 27 ATOM 26 C LIG 1 5.433 1.436 2.908 0.00 0.00 +0.277 C ATOM 27 O LIG 1 4.733 0.633 1.966 0.00 0.00 -0.495 OA ENDBRANCH 20 27 BRANCH 22 28 ATOM 28 O LIG 1 4.837 4.258 -1.165 0.00 0.00 -0.495 OA ATOM 29 C LIG 1 4.585 4.770 -2.467 0.00 0.00 +0.277 C ENDBRANCH 22 28 ENDBRANCH 19 24 ENDBRANCH 15 19 ENDBRANCH 1 16 BRANCH 5 30 ATOM 30 C LIG 1 -2.212 0.008 1.903 0.00 0.00 +0.139 C BRANCH 30 31 ATOM 31 N LIG 1 -2.457 1.317 1.331 0.00 0.00 -0.313 N ATOM 32 H LIG 1 -3.048 1.270 0.506 0.00 0.00 +0.149 HD BRANCH 31 33 ATOM 33 C LIG 1 -2.832 2.370 2.086 0.00 0.00 +0.176 C ATOM 34 N LIG 1 -2.222 2.542 3.286 0.00 0.00 -0.316 N ATOM 35 H LIG 1 -1.227 2.356 3.261 0.00 0.00 +0.149 HD ATOM 36 C LIG 1 -2.580 3.867 3.750 0.00 0.00 +0.127 C ATOM 37 C LIG 1 -3.784 4.191 2.859 0.00 0.00 +0.163 C ATOM 38 N LIG 1 -3.718 3.244 1.710 0.00 0.00 -0.255 NA ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 9