REMARK Name = BDB009983 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.264 -0.884 -2.021 0.00 0.00 +0.144 A ATOM 2 N LIG 1 -0.315 -0.008 -1.517 0.00 0.00 -0.315 N ATOM 3 C LIG 1 0.827 -0.729 -1.237 0.00 0.00 +0.129 A ATOM 4 C LIG 1 0.506 -2.018 -1.635 0.00 0.00 +0.184 A ATOM 5 N LIG 1 1.348 -3.058 -1.579 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 2.552 -2.719 -1.109 0.00 0.00 +0.242 A ATOM 7 N LIG 1 2.948 -1.495 -0.685 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 2.092 -0.458 -0.716 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -0.773 -2.104 -2.095 0.00 0.00 -0.208 NA ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -3.721 -0.643 -1.554 0.00 0.00 -0.037 A ATOM 11 C LIG 1 -2.619 -0.501 -2.421 0.00 0.00 +0.021 A ATOM 12 C LIG 1 -2.813 0.023 -3.710 0.00 0.00 +0.012 A ATOM 13 C LIG 1 -4.079 0.431 -4.131 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -5.165 0.311 -3.271 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -4.990 -0.228 -1.996 0.00 0.00 +0.004 A BRANCH 10 17 ATOM 16 C LIG 1 -3.889 -2.762 -0.211 0.00 0.00 +0.009 C ATOM 17 C LIG 1 -3.605 -1.267 -0.181 0.00 0.00 +0.032 C ENDBRANCH 10 17 ENDBRANCH 1 11 BRANCH 6 18 ATOM 18 C LIG 1 3.565 -3.832 -1.041 0.00 0.00 +0.375 C ATOM 19 O LIG 1 3.397 -4.999 -1.356 0.00 0.00 -0.242 OA BRANCH 18 20 ATOM 20 O LIG 1 4.773 -3.436 -0.575 0.00 0.00 -0.475 OA ATOM 21 H LIG 1 5.308 -4.255 -0.598 0.00 0.00 +0.296 HD ENDBRANCH 18 20 ENDBRANCH 6 18 BRANCH 8 22 ATOM 22 N LIG 1 2.478 0.792 -0.263 0.00 0.00 -0.324 N ATOM 23 H LIG 1 1.712 1.331 0.118 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 3.720 1.009 0.495 0.00 0.00 +0.072 C ATOM 25 C LIG 1 4.970 0.724 -0.331 0.00 0.00 +0.028 C BRANCH 24 26 ATOM 26 C LIG 1 3.695 0.350 1.879 0.00 0.00 +0.009 C ATOM 27 C LIG 1 4.805 0.762 2.890 0.00 0.00 +0.005 C ATOM 28 C LIG 1 4.658 -0.642 3.510 0.00 0.00 +0.001 C ATOM 29 C LIG 1 4.155 -1.117 2.131 0.00 0.00 +0.005 C ENDBRANCH 24 26 ENDBRANCH 22 24 ENDBRANCH 8 22 BRANCH 2 30 ATOM 30 C LIG 1 -0.501 1.431 -1.398 0.00 0.00 +0.159 C BRANCH 30 31 ATOM 31 C LIG 1 -1.315 1.818 -0.184 0.00 0.00 -0.028 A ATOM 32 C LIG 1 -0.993 1.370 1.105 0.00 0.00 +0.006 A ATOM 33 C LIG 1 -1.765 1.751 2.207 0.00 0.00 +0.013 A ATOM 34 C LIG 1 -2.869 2.599 2.047 0.00 0.00 +0.055 A ATOM 35 C LIG 1 -3.192 3.049 0.760 0.00 0.00 +0.013 A ATOM 36 C LIG 1 -2.420 2.668 -0.340 0.00 0.00 +0.006 A BRANCH 34 37 ATOM 37 C LIG 1 -3.720 2.985 3.232 0.00 0.00 +0.417 C ATOM 38 F LIG 1 -4.306 4.207 3.094 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -4.736 2.104 3.448 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -3.017 3.041 4.398 0.00 0.00 -0.166 F ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 2 30 TORSDOF 10