REMARK Name = BDB028054 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.283 -1.192 1.066 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.096 0.028 0.501 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.512 0.813 -0.203 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.487 0.274 0.901 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.294 1.354 0.593 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.602 1.358 1.094 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -4.046 0.276 1.893 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -3.211 -0.816 2.198 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.919 -0.792 1.681 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.813 -1.788 1.820 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 3.874 -1.845 0.070 0.00 0.00 -0.035 A ATOM 12 C LIG 1 2.613 -1.227 0.251 0.00 0.00 +0.028 A ATOM 13 C LIG 1 1.547 -1.832 0.934 0.00 0.00 +0.037 A ATOM 14 C LIG 1 1.768 -3.100 1.485 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.000 -3.738 1.343 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.034 -3.119 0.643 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 5.067 -1.119 -0.736 0.00 0.00 +0.049 C ATOM 18 C LIG 1 5.723 -1.966 -1.867 0.00 0.00 +0.174 C ATOM 19 O LIG 1 5.730 -0.820 -2.756 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 4.676 -0.215 -1.951 0.00 0.00 +0.174 C BRANCH 17 21 ATOM 21 C LIG 1 6.093 -0.558 0.274 0.00 0.00 +0.092 C BRANCH 21 24 ATOM 22 C LIG 1 8.818 -0.367 -1.337 0.00 0.00 +0.151 C ATOM 23 N LIG 1 8.013 0.717 -0.845 0.00 0.00 -0.320 N ATOM 24 C LIG 1 6.841 0.665 -0.135 0.00 0.00 +0.134 A ATOM 25 N LIG 1 6.479 1.902 0.153 0.00 0.00 -0.135 NA ATOM 26 N LIG 1 7.394 2.762 -0.401 0.00 0.00 -0.138 NA ATOM 27 C LIG 1 8.302 2.037 -1.005 0.00 0.00 +0.224 A ENDBRANCH 21 24 ENDBRANCH 17 21 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 -3.679 -1.944 3.078 0.00 0.00 +0.418 C ATOM 29 F LIG 1 -3.112 -1.885 4.316 0.00 0.00 -0.166 F ATOM 30 F LIG 1 -5.023 -1.968 3.281 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -3.347 -3.168 2.582 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 -4.538 2.507 0.786 0.00 0.00 +0.119 C BRANCH 32 33 ATOM 33 N LIG 1 -5.725 2.078 0.034 0.00 0.00 -0.297 NA ATOM 34 C LIG 1 -5.421 1.673 -1.343 0.00 0.00 +0.103 C ATOM 35 C LIG 1 -6.633 0.972 -1.992 0.00 0.00 +0.106 C ATOM 36 C LIG 1 -7.973 1.552 -1.509 0.00 0.00 +0.021 C ATOM 37 C LIG 1 -7.803 2.993 -1.052 0.00 0.00 +0.017 C ATOM 38 C LIG 1 -6.776 3.106 0.083 0.00 0.00 +0.085 C BRANCH 35 39 ATOM 39 C LIG 1 -6.585 -0.482 -1.754 0.00 0.00 +0.067 C ATOM 40 N LIG 1 -6.546 -1.631 -1.593 0.00 0.00 -0.196 NA ENDBRANCH 35 39 ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 8