REMARK Name = BDB061908 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.828 -0.831 3.739 0.00 0.00 -0.016 A ATOM 2 C LIG 1 0.059 -0.778 2.645 0.00 0.00 +0.020 A ATOM 3 C LIG 1 1.410 -0.431 2.846 0.00 0.00 +0.031 A ATOM 4 C LIG 1 1.844 -0.137 4.132 0.00 0.00 +0.066 A ATOM 5 N LIG 1 3.174 0.164 4.005 0.00 0.00 -0.276 N ATOM 6 H LIG 1 3.815 0.433 4.743 0.00 0.00 +0.189 HD ATOM 7 N LIG 1 3.645 0.082 2.747 0.00 0.00 -0.170 NA ATOM 8 C LIG 1 1.002 -0.172 5.245 0.00 0.00 +0.028 A ATOM 9 C LIG 1 2.564 -0.279 2.038 0.00 0.00 +0.135 A ATOM 10 C LIG 1 -0.336 -0.525 5.021 0.00 0.00 +0.010 A ENDROOT BRANCH 9 11 ATOM 11 C LIG 1 2.651 -0.493 0.496 0.00 0.00 +0.160 A ATOM 12 N LIG 1 3.815 -0.314 -0.203 0.00 0.00 -0.336 N ATOM 13 H LIG 1 4.687 -0.022 0.216 0.00 0.00 +0.167 HD ATOM 14 C LIG 1 3.575 -0.584 -1.526 0.00 0.00 +0.077 A ATOM 15 C LIG 1 2.221 -0.906 -1.562 0.00 0.00 +0.108 A ATOM 16 C LIG 1 1.636 -1.218 -2.792 0.00 0.00 +0.140 A ATOM 17 N LIG 1 2.381 -1.203 -3.928 0.00 0.00 -0.260 NA ATOM 18 C LIG 1 3.697 -0.884 -3.839 0.00 0.00 +0.121 A ATOM 19 C LIG 1 4.387 -0.561 -2.665 0.00 0.00 +0.026 A ATOM 20 N LIG 1 1.668 -0.855 -0.301 0.00 0.00 -0.225 NA BRANCH 19 21 ATOM 21 C LIG 1 5.807 -0.225 -2.620 0.00 0.00 -0.012 A ATOM 22 C LIG 1 6.311 0.866 -3.342 0.00 0.00 +0.047 A ATOM 23 C LIG 1 7.667 1.178 -3.288 0.00 0.00 +0.124 A ATOM 24 F LIG 1 8.129 2.227 -3.981 0.00 0.00 -0.205 F ATOM 25 C LIG 1 8.549 0.422 -2.526 0.00 0.00 +0.038 A ATOM 26 C LIG 1 8.068 -0.668 -1.806 0.00 0.00 +0.003 A ATOM 27 C LIG 1 6.707 -0.989 -1.854 0.00 0.00 +0.009 A ENDBRANCH 19 21 ENDBRANCH 9 11 BRANCH 1 30 ATOM 28 C LIG 1 -4.383 -0.906 2.424 0.00 0.00 +0.052 A ATOM 29 C LIG 1 -3.049 -0.539 2.599 0.00 0.00 +0.034 A ATOM 30 C LIG 1 -2.238 -1.198 3.540 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -2.839 -2.222 4.273 0.00 0.00 +0.119 A ATOM 32 N LIG 1 -4.128 -2.612 4.142 0.00 0.00 -0.261 NA ATOM 33 C LIG 1 -4.861 -1.946 3.221 0.00 0.00 +0.134 A BRANCH 28 35 ATOM 34 C LIG 1 -5.002 0.756 0.650 0.00 0.00 +0.217 C ATOM 35 N LIG 1 -5.268 -0.305 1.502 0.00 0.00 -0.284 N ATOM 36 H LIG 1 -6.205 -0.688 1.468 0.00 0.00 +0.155 HD ATOM 37 O LIG 1 -3.952 1.383 0.581 0.00 0.00 -0.275 OA BRANCH 34 38 ATOM 38 C LIG 1 -6.217 1.099 -0.205 0.00 0.00 +0.099 C BRANCH 38 40 ATOM 39 C LIG 1 -5.101 1.515 -2.442 0.00 0.00 +0.008 C ATOM 40 C LIG 1 -5.928 2.128 -1.309 0.00 0.00 -0.008 C ATOM 41 C LIG 1 -7.242 2.678 -1.870 0.00 0.00 +0.008 C ENDBRANCH 38 40 ENDBRANCH 34 38 ENDBRANCH 28 35 ENDBRANCH 1 30 TORSDOF 6