REMARK Name = BDB006423 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.081 -1.251 -0.545 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -1.819 -0.256 0.409 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -0.576 -0.237 1.081 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.011 0.618 2.078 0.00 0.00 -0.022 A ATOM 5 C LIG 1 1.259 0.137 2.364 0.00 0.00 +0.020 A ATOM 6 N LIG 1 1.485 -0.963 1.557 0.00 0.00 -0.339 N ATOM 7 C LIG 1 2.271 0.661 3.325 0.00 0.00 +0.064 C ATOM 8 C LIG 1 -0.659 1.805 2.702 0.00 0.00 +0.046 C ATOM 9 C LIG 1 0.373 -1.213 0.770 0.00 0.00 +0.050 A ATOM 10 C LIG 1 0.129 -2.202 -0.199 0.00 0.00 +0.027 A ATOM 11 C LIG 1 -1.107 -2.202 -0.851 0.00 0.00 +0.015 A ENDROOT BRANCH 1 14 ATOM 12 N LIG 1 -4.478 -0.837 -0.592 0.00 0.00 -0.305 N ATOM 13 H LIG 1 -4.402 -0.633 0.395 0.00 0.00 +0.150 HD ATOM 14 C LIG 1 -3.378 -1.309 -1.273 0.00 0.00 +0.245 C ATOM 15 O LIG 1 -3.433 -1.783 -2.402 0.00 0.00 -0.270 OA BRANCH 12 16 ATOM 16 C LIG 1 -5.814 -0.889 -1.162 0.00 0.00 +0.101 C ATOM 17 C LIG 1 -6.393 -2.305 -1.059 0.00 0.00 +0.033 C BRANCH 16 20 ATOM 18 C LIG 1 -5.905 1.907 -2.248 0.00 0.00 +0.047 C ATOM 19 C LIG 1 -6.686 1.514 -1.022 0.00 0.00 -0.010 A ATOM 20 C LIG 1 -6.667 0.194 -0.508 0.00 0.00 -0.022 A ATOM 21 C LIG 1 -7.406 -0.079 0.662 0.00 0.00 +0.006 A ATOM 22 C LIG 1 -8.174 0.908 1.285 0.00 0.00 +0.003 A ATOM 23 C LIG 1 -8.210 2.192 0.758 0.00 0.00 +0.038 A ATOM 24 C LIG 1 -7.471 2.484 -0.382 0.00 0.00 +0.127 A ATOM 25 F LIG 1 -7.519 3.735 -0.865 0.00 0.00 -0.205 F ENDBRANCH 16 20 ENDBRANCH 12 16 ENDBRANCH 1 14 BRANCH 6 26 ATOM 26 C LIG 1 2.699 -1.781 1.564 0.00 0.00 +0.157 C BRANCH 26 27 ATOM 27 C LIG 1 3.863 -1.126 0.859 0.00 0.00 -0.028 A ATOM 28 C LIG 1 5.119 -1.081 1.479 0.00 0.00 +0.006 A ATOM 29 C LIG 1 6.216 -0.503 0.831 0.00 0.00 +0.009 A ATOM 30 C LIG 1 6.096 0.037 -0.458 0.00 0.00 -0.018 A ATOM 31 C LIG 1 4.840 -0.024 -1.079 0.00 0.00 +0.009 A ATOM 32 C LIG 1 3.740 -0.601 -0.434 0.00 0.00 +0.006 A BRANCH 30 33 ATOM 33 C LIG 1 7.252 0.645 -1.138 0.00 0.00 -0.018 A ATOM 34 C LIG 1 7.640 0.226 -2.422 0.00 0.00 +0.008 A ATOM 35 C LIG 1 8.738 0.802 -3.068 0.00 0.00 +0.001 A ATOM 36 C LIG 1 9.466 1.809 -2.441 0.00 0.00 +0.000 A ATOM 37 C LIG 1 9.098 2.241 -1.169 0.00 0.00 +0.001 A ATOM 38 C LIG 1 8.001 1.663 -0.524 0.00 0.00 +0.008 A ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 6