REMARK Name = BDB065072 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.584 -0.283 -1.504 0.00 0.00 +0.169 A ATOM 2 N LIG 1 -2.175 -1.217 -0.627 0.00 0.00 -0.209 NA ATOM 3 C LIG 1 -1.720 -2.379 -1.133 0.00 0.00 +0.148 A ATOM 4 C LIG 1 -1.712 -2.643 -2.495 0.00 0.00 +0.036 A ATOM 5 C LIG 1 -1.229 -3.911 -3.014 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -0.769 -4.827 -2.157 0.00 0.00 +0.071 A ATOM 7 C LIG 1 -0.734 -4.582 -0.692 0.00 0.00 +0.253 A ATOM 8 O LIG 1 -0.271 -5.462 0.030 0.00 0.00 -0.268 OA ATOM 9 C LIG 1 -2.185 -1.630 -3.303 0.00 0.00 +0.124 A ATOM 10 N LIG 1 -1.227 -3.370 -0.243 0.00 0.00 -0.288 N ATOM 11 N LIG 1 -2.625 -0.446 -2.839 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 13 ATOM 12 C LIG 1 -2.292 2.145 -1.075 0.00 0.00 +0.229 A ATOM 13 C LIG 1 -3.036 0.981 -0.959 0.00 0.00 +0.102 A ATOM 14 C LIG 1 -4.237 1.103 -0.260 0.00 0.00 +0.062 A ATOM 15 N LIG 1 -4.630 2.292 0.268 0.00 0.00 -0.239 NA ATOM 16 C LIG 1 -3.827 3.346 0.085 0.00 0.00 +0.225 A ATOM 17 N LIG 1 -2.662 3.338 -0.566 0.00 0.00 -0.201 NA BRANCH 14 18 ATOM 18 C LIG 1 -5.160 -0.083 -0.034 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -5.925 -0.679 -1.194 0.00 0.00 +0.010 C ATOM 20 C LIG 1 -6.659 0.090 -0.138 0.00 0.00 +0.010 C ENDBRANCH 14 18 BRANCH 12 22 ATOM 21 C LIG 1 -0.385 3.306 -1.821 0.00 0.00 +0.279 C ATOM 22 O LIG 1 -1.073 2.063 -1.729 0.00 0.00 -0.479 OA ENDBRANCH 12 22 ENDBRANCH 1 13 BRANCH 10 23 ATOM 23 C LIG 1 -1.180 -3.066 1.184 0.00 0.00 +0.162 C BRANCH 23 24 ATOM 24 C LIG 1 -0.001 -2.191 1.559 0.00 0.00 -0.028 A ATOM 25 C LIG 1 -0.196 -0.848 1.912 0.00 0.00 +0.006 A ATOM 26 C LIG 1 0.892 -0.031 2.225 0.00 0.00 +0.012 A ATOM 27 C LIG 1 2.193 -0.539 2.180 0.00 0.00 +0.017 A ATOM 28 C LIG 1 2.392 -1.886 1.859 0.00 0.00 +0.012 A ATOM 29 C LIG 1 1.303 -2.705 1.547 0.00 0.00 +0.006 A BRANCH 27 30 ATOM 30 C LIG 1 3.321 0.341 2.471 0.00 0.00 +0.141 A ATOM 31 N LIG 1 4.235 0.787 1.540 0.00 0.00 -0.330 N ATOM 32 C LIG 1 5.130 1.603 2.181 0.00 0.00 +0.120 A ATOM 33 C LIG 1 4.720 1.654 3.501 0.00 0.00 +0.162 A ATOM 34 N LIG 1 3.584 0.871 3.651 0.00 0.00 -0.224 NA BRANCH 33 35 ATOM 35 C LIG 1 5.328 2.418 4.641 0.00 0.00 +0.436 C ATOM 36 F LIG 1 5.367 1.705 5.796 0.00 0.00 -0.164 F ATOM 37 F LIG 1 4.651 3.568 4.904 0.00 0.00 -0.164 F ATOM 38 F LIG 1 6.613 2.785 4.372 0.00 0.00 -0.164 F ENDBRANCH 33 35 BRANCH 31 39 ATOM 39 C LIG 1 4.258 0.487 0.115 0.00 0.00 +0.126 C BRANCH 39 40 ATOM 40 C LIG 1 3.309 1.355 -0.657 0.00 0.00 +0.009 C ATOM 41 C LIG 1 3.709 2.740 -1.101 0.00 0.00 +0.005 C ATOM 42 C LIG 1 3.563 1.639 -2.116 0.00 0.00 +0.005 C ENDBRANCH 39 40 ENDBRANCH 31 39 ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 10 23 TORSDOF 9