REMARK Name = BDB023980 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.146 1.429 -1.835 0.00 0.00 +0.045 A ATOM 2 C LIG 1 1.431 0.820 -1.567 0.00 0.00 +0.148 A ATOM 3 N LIG 1 2.482 1.105 -2.437 0.00 0.00 -0.305 N ATOM 4 C LIG 1 3.581 0.412 -1.992 0.00 0.00 +0.121 A ATOM 5 C LIG 1 3.170 -0.252 -0.859 0.00 0.00 +0.090 A ATOM 6 C LIG 1 2.380 1.947 -3.536 0.00 0.00 +0.093 A ATOM 7 C LIG 1 1.205 2.535 -3.792 0.00 0.00 +0.019 A ATOM 8 N LIG 1 1.844 0.013 -0.606 0.00 0.00 -0.227 NA ATOM 9 C LIG 1 0.082 2.259 -2.913 0.00 0.00 +0.015 A ENDROOT BRANCH 1 15 ATOM 10 C LIG 1 0.331 -3.699 0.930 0.00 0.00 +0.109 C ATOM 11 C LIG 1 -1.164 -3.492 0.957 0.00 0.00 +0.213 C ATOM 12 N LIG 1 -1.640 -2.245 0.567 0.00 0.00 -0.297 N ATOM 13 C LIG 1 -0.762 -1.265 -0.118 0.00 0.00 +0.146 C ATOM 14 C LIG 1 -1.438 0.048 -0.318 0.00 0.00 +0.019 A ATOM 15 C LIG 1 -1.052 1.222 -1.033 0.00 0.00 +0.101 A ATOM 16 N LIG 1 -2.016 2.161 -0.936 0.00 0.00 -0.170 NA ATOM 17 N LIG 1 -2.981 1.611 -0.174 0.00 0.00 -0.264 N ATOM 18 C LIG 1 -2.701 0.327 0.164 0.00 0.00 +0.046 A ATOM 19 C LIG 1 -3.551 -0.645 0.893 0.00 0.00 +0.074 C ATOM 20 C LIG 1 -3.101 -2.062 0.490 0.00 0.00 +0.114 C ATOM 21 O LIG 1 -1.905 -4.402 1.332 0.00 0.00 -0.276 OA BRANCH 17 22 ATOM 22 C LIG 1 -4.158 2.400 0.168 0.00 0.00 +0.112 C ATOM 23 C LIG 1 -3.810 3.551 1.124 0.00 0.00 +0.055 C ATOM 24 C LIG 1 -4.784 4.713 0.974 0.00 0.00 +0.162 C ATOM 25 O LIG 1 -6.078 4.215 0.650 0.00 0.00 -0.380 OA ATOM 26 C LIG 1 -6.144 3.682 -0.674 0.00 0.00 +0.162 C ATOM 27 C LIG 1 -4.886 2.917 -1.074 0.00 0.00 +0.055 C ENDBRANCH 17 22 ENDBRANCH 1 15 BRANCH 5 28 ATOM 28 C LIG 1 3.982 -1.108 -0.010 0.00 0.00 +0.002 A ATOM 29 C LIG 1 5.189 -1.665 -0.450 0.00 0.00 +0.013 A ATOM 30 C LIG 1 5.948 -2.495 0.389 0.00 0.00 +0.046 A ATOM 31 C LIG 1 5.510 -2.779 1.683 0.00 0.00 +0.130 A ATOM 32 C LIG 1 4.306 -2.226 2.125 0.00 0.00 +0.046 A ATOM 33 C LIG 1 3.548 -1.400 1.288 0.00 0.00 +0.013 A BRANCH 31 34 ATOM 34 O LIG 1 6.142 -3.566 2.602 0.00 0.00 -0.406 OA BRANCH 34 35 ATOM 35 C LIG 1 7.367 -4.168 2.225 0.00 0.00 +0.575 C ATOM 36 F LIG 1 8.298 -3.236 1.928 0.00 0.00 -0.133 F ATOM 37 F LIG 1 7.203 -4.992 1.168 0.00 0.00 -0.133 F ATOM 38 F LIG 1 7.827 -4.903 3.262 0.00 0.00 -0.133 F ENDBRANCH 34 35 ENDBRANCH 31 34 ENDBRANCH 5 28 TORSDOF 5