REMARK Name = BDB028055 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.500 -0.423 -1.758 0.00 0.00 -0.032 A ATOM 2 C LIG 1 -2.890 0.680 -2.402 0.00 0.00 +0.017 A ATOM 3 C LIG 1 -1.547 1.031 -2.157 0.00 0.00 +0.061 A ATOM 4 C LIG 1 -0.837 0.247 -1.252 0.00 0.00 -0.006 A ATOM 5 C LIG 1 0.579 0.370 -0.789 0.00 0.00 +0.150 C ATOM 6 N LIG 1 0.730 -0.733 0.152 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.456 -1.468 0.267 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -0.728 -2.452 0.930 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -1.439 -0.836 -0.623 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -2.754 -1.193 -0.852 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 1.948 -0.978 0.844 0.00 0.00 +0.037 A ATOM 12 C LIG 1 3.080 -0.170 0.615 0.00 0.00 +0.028 A ATOM 13 C LIG 1 4.332 -0.349 1.264 0.00 0.00 -0.035 A ATOM 14 C LIG 1 4.380 -1.403 2.196 0.00 0.00 +0.004 A ATOM 15 C LIG 1 3.277 -2.221 2.443 0.00 0.00 +0.002 A ATOM 16 C LIG 1 2.075 -2.012 1.770 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 5.611 0.652 0.927 0.00 0.00 +0.049 C ATOM 18 C LIG 1 5.753 1.058 -0.573 0.00 0.00 +0.174 C ATOM 19 O LIG 1 5.039 2.299 -0.332 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 5.294 2.171 1.097 0.00 0.00 +0.174 C BRANCH 17 21 ATOM 21 C LIG 1 6.900 0.139 1.593 0.00 0.00 +0.092 C BRANCH 21 22 ATOM 22 C LIG 1 8.153 0.898 1.316 0.00 0.00 +0.134 A ATOM 23 N LIG 1 9.171 0.489 0.492 0.00 0.00 -0.320 N ATOM 24 C LIG 1 9.253 -0.723 -0.276 0.00 0.00 +0.151 C ATOM 25 C LIG 1 10.117 1.466 0.544 0.00 0.00 +0.224 A ATOM 26 N LIG 1 9.721 2.414 1.358 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 8.492 2.053 1.853 0.00 0.00 -0.135 NA ENDBRANCH 21 22 ENDBRANCH 17 21 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 28 ATOM 28 C LIG 1 -0.901 2.208 -2.837 0.00 0.00 +0.418 C ATOM 29 F LIG 1 -1.714 2.844 -3.723 0.00 0.00 -0.166 F ATOM 30 F LIG 1 -0.494 3.155 -1.949 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.211 1.850 -3.536 0.00 0.00 -0.166 F ENDBRANCH 3 28 BRANCH 1 32 ATOM 32 C LIG 1 -4.948 -0.772 -2.037 0.00 0.00 +0.119 C BRANCH 32 37 ATOM 33 C LIG 1 -7.084 1.780 1.774 0.00 0.00 +0.009 C ATOM 34 C LIG 1 -6.511 0.490 1.183 0.00 0.00 +0.003 C ATOM 35 C LIG 1 -5.950 0.661 -0.263 0.00 0.00 +0.057 C ATOM 36 C LIG 1 -6.708 1.662 -1.151 0.00 0.00 +0.024 C ATOM 37 N LIG 1 -5.805 -0.682 -0.850 0.00 0.00 -0.295 NA ATOM 38 C LIG 1 -7.088 -1.361 -1.072 0.00 0.00 +0.085 C ATOM 39 C LIG 1 -8.143 -1.069 0.002 0.00 0.00 +0.016 C ATOM 40 C LIG 1 -7.512 -0.676 1.328 0.00 0.00 +0.006 C ENDBRANCH 32 37 ENDBRANCH 1 32 TORSDOF 7