REMARK Name = BDB020569 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.467 -0.741 1.718 0.00 0.00 +0.011 A ATOM 2 C LIG 1 1.625 -0.319 1.005 0.00 0.00 +0.010 A ATOM 3 C LIG 1 2.893 -0.491 1.591 0.00 0.00 +0.072 A ATOM 4 N LIG 1 4.031 -0.131 0.978 0.00 0.00 -0.246 NA ATOM 5 C LIG 1 3.981 0.423 -0.262 0.00 0.00 +0.086 A ATOM 6 C LIG 1 2.791 0.662 -0.928 0.00 0.00 +0.081 A ATOM 7 C LIG 1 2.982 -1.061 2.853 0.00 0.00 +0.028 A ATOM 8 C LIG 1 1.851 -1.468 3.561 0.00 0.00 +0.003 A ATOM 9 C LIG 1 1.610 0.270 -0.279 0.00 0.00 +0.025 A ATOM 10 C LIG 1 0.594 -1.307 2.995 0.00 0.00 +0.011 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -5.096 -1.721 1.072 0.00 0.00 +0.041 C ATOM 12 C LIG 1 -4.047 -1.703 -0.035 0.00 0.00 +0.171 C ATOM 13 N LIG 1 -2.858 -0.975 0.378 0.00 0.00 -0.318 N ATOM 14 C LIG 1 -1.763 -1.603 0.910 0.00 0.00 +0.064 A ATOM 15 C LIG 1 -0.863 -0.591 1.158 0.00 0.00 +0.094 A ATOM 16 N LIG 1 -1.384 0.618 0.769 0.00 0.00 -0.232 NA ATOM 17 C LIG 1 -1.750 -3.065 1.084 0.00 0.00 +0.163 C ATOM 18 N LIG 1 -2.508 -3.680 0.003 0.00 0.00 -0.297 N ATOM 19 C LIG 1 -2.232 -5.079 -0.271 0.00 0.00 +0.132 C ATOM 20 C LIG 1 -2.592 0.369 0.298 0.00 0.00 +0.115 A ATOM 21 C LIG 1 -3.711 -3.139 -0.445 0.00 0.00 +0.238 C ATOM 22 O LIG 1 -4.509 -3.785 -1.130 0.00 0.00 -0.273 OA BRANCH 20 23 ATOM 23 C LIG 1 -3.530 1.394 -0.269 0.00 0.00 +0.060 C ATOM 24 C LIG 1 -3.520 2.680 0.561 0.00 0.00 +0.039 C ATOM 25 C LIG 1 -4.493 3.703 -0.022 0.00 0.00 +0.160 C ATOM 26 O LIG 1 -4.741 3.508 -1.416 0.00 0.00 -0.380 OA ATOM 27 C LIG 1 -3.568 3.122 -2.125 0.00 0.00 +0.160 C ATOM 28 C LIG 1 -3.171 1.704 -1.731 0.00 0.00 +0.039 C ENDBRANCH 20 23 ENDBRANCH 1 15 BRANCH 5 29 ATOM 29 C LIG 1 5.288 0.740 -0.805 0.00 0.00 +0.038 A ATOM 30 C LIG 1 6.259 1.439 -0.116 0.00 0.00 +0.118 A ATOM 31 N LIG 1 7.341 1.504 -0.942 0.00 0.00 -0.274 N ATOM 32 C LIG 1 8.607 2.138 -0.666 0.00 0.00 +0.172 C ATOM 33 N LIG 1 7.153 0.885 -2.121 0.00 0.00 -0.179 NA ATOM 34 C LIG 1 5.909 0.405 -2.028 0.00 0.00 +0.144 A ENDBRANCH 5 29 BRANCH 6 35 ATOM 35 C LIG 1 2.733 1.317 -2.272 0.00 0.00 +0.419 C ATOM 36 F LIG 1 1.465 1.655 -2.651 0.00 0.00 -0.166 F ATOM 37 F LIG 1 3.196 0.511 -3.268 0.00 0.00 -0.166 F ATOM 38 F LIG 1 3.447 2.472 -2.349 0.00 0.00 -0.166 F ENDBRANCH 6 35 TORSDOF 4