REMARK Name = BDB019655 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.090 1.637 1.013 0.00 0.00 +0.126 A ATOM 2 N LIG 1 -0.395 2.916 0.677 0.00 0.00 -0.242 NA ATOM 3 C LIG 1 -1.501 3.133 -0.068 0.00 0.00 +0.074 A ATOM 4 C LIG 1 -2.304 2.089 -0.524 0.00 0.00 +0.033 A ATOM 5 C LIG 1 -1.991 0.773 -0.169 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -0.861 0.548 0.623 0.00 0.00 +0.038 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.767 4.537 -0.405 0.00 0.00 +0.022 A ATOM 8 C LIG 1 -2.948 5.215 -0.056 0.00 0.00 +0.050 A ATOM 9 C LIG 1 -4.029 4.567 0.762 0.00 0.00 +0.066 C ATOM 10 N LIG 1 -3.198 6.505 -0.413 0.00 0.00 -0.224 NA ATOM 11 C LIG 1 -2.237 7.161 -1.091 0.00 0.00 +0.213 A ATOM 12 F LIG 1 -2.480 8.434 -1.435 0.00 0.00 -0.184 F ATOM 13 C LIG 1 -1.029 6.601 -1.450 0.00 0.00 +0.060 A ATOM 14 C LIG 1 -0.795 5.276 -1.101 0.00 0.00 +0.016 A ENDBRANCH 3 7 BRANCH 1 17 ATOM 15 N LIG 1 1.820 0.262 1.692 0.00 0.00 -0.303 N ATOM 16 H LIG 1 1.629 -0.352 0.908 0.00 0.00 +0.150 HD ATOM 17 C LIG 1 1.146 1.456 1.847 0.00 0.00 +0.263 C ATOM 18 O LIG 1 1.540 2.334 2.608 0.00 0.00 -0.269 OA BRANCH 15 19 ATOM 19 C LIG 1 3.097 0.036 2.351 0.00 0.00 +0.180 C BRANCH 19 23 ATOM 20 C LIG 1 6.231 -3.543 3.450 0.00 0.00 +0.066 C ATOM 21 C LIG 1 5.148 -3.016 2.559 0.00 0.00 +0.042 A ATOM 22 N LIG 1 4.638 -1.804 2.855 0.00 0.00 -0.236 NA ATOM 23 C LIG 1 3.668 -1.334 2.047 0.00 0.00 +0.146 A ATOM 24 N LIG 1 3.188 -1.989 0.962 0.00 0.00 -0.236 NA ATOM 25 C LIG 1 3.720 -3.200 0.698 0.00 0.00 +0.042 A ATOM 26 C LIG 1 3.205 -3.932 -0.504 0.00 0.00 +0.066 C ATOM 27 C LIG 1 4.717 -3.756 1.475 0.00 0.00 +0.046 A ENDBRANCH 19 23 ENDBRANCH 15 19 ENDBRANCH 1 17 BRANCH 5 28 ATOM 28 C LIG 1 -2.838 -0.382 -0.638 0.00 0.00 +0.139 C BRANCH 28 29 ATOM 29 N LIG 1 -2.086 -1.163 -1.601 0.00 0.00 -0.313 N ATOM 30 H LIG 1 -1.660 -0.596 -2.325 0.00 0.00 +0.149 HD BRANCH 29 31 ATOM 31 C LIG 1 -2.624 -2.299 -2.097 0.00 0.00 +0.176 C ATOM 32 N LIG 1 -1.928 -2.834 -3.133 0.00 0.00 -0.316 N ATOM 33 H LIG 1 -0.924 -2.799 -3.004 0.00 0.00 +0.149 HD ATOM 34 C LIG 1 -2.465 -4.162 -3.356 0.00 0.00 +0.127 C ATOM 35 C LIG 1 -3.794 -4.088 -2.597 0.00 0.00 +0.163 C ATOM 36 N LIG 1 -3.684 -2.921 -1.679 0.00 0.00 -0.255 NA ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 5 28 TORSDOF 7