REMARK Name = BDB007010 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.057 -0.336 -0.559 0.00 0.00 +0.234 C ATOM 2 N LIG 1 0.973 -1.259 -0.080 0.00 0.00 -0.269 N ATOM 3 C LIG 1 2.310 -0.974 0.270 0.00 0.00 +0.043 A ATOM 4 C LIG 1 2.957 -2.129 0.690 0.00 0.00 -0.001 A ATOM 5 C LIG 1 4.278 -2.050 1.071 0.00 0.00 +0.117 A ATOM 6 N LIG 1 4.970 -0.891 1.049 0.00 0.00 -0.259 NA ATOM 7 C LIG 1 4.316 0.234 0.642 0.00 0.00 +0.047 A ATOM 8 C LIG 1 2.048 -3.325 0.676 0.00 0.00 +0.009 C ATOM 9 C LIG 1 2.599 -4.457 -0.196 0.00 0.00 +0.017 C ATOM 10 C LIG 1 1.781 -3.826 2.100 0.00 0.00 +0.017 C ATOM 11 C LIG 1 2.981 0.233 0.242 0.00 0.00 +0.047 A ATOM 12 C LIG 1 0.764 -2.714 0.056 0.00 0.00 +0.124 C ATOM 13 O LIG 1 0.322 0.852 -0.767 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 14 ATOM 14 C LIG 1 -1.368 -0.839 -0.856 0.00 0.00 +0.181 C BRANCH 14 16 ATOM 15 C LIG 1 -2.486 1.076 0.344 0.00 0.00 +0.092 C ATOM 16 N LIG 1 -2.404 -0.403 0.116 0.00 0.00 -0.287 NA ATOM 17 C LIG 1 -2.229 -1.103 1.410 0.00 0.00 +0.103 C ATOM 18 C LIG 1 -3.295 -0.724 2.468 0.00 0.00 +0.065 C ATOM 19 C LIG 1 -3.029 -1.460 3.780 0.00 0.00 +0.025 C ATOM 20 N LIG 1 -3.291 0.723 2.724 0.00 0.00 -0.311 NA ATOM 21 H LIG 1 -4.042 0.957 3.373 0.00 0.00 +0.122 HD ATOM 22 C LIG 1 -3.525 1.435 1.456 0.00 0.00 +0.102 C BRANCH 15 23 ATOM 23 C LIG 1 -2.747 1.933 -0.922 0.00 0.00 +0.165 C BRANCH 23 27 ATOM 24 C LIG 1 -7.263 3.578 -1.422 0.00 0.00 +0.090 C ATOM 25 C LIG 1 -6.059 2.740 -1.576 0.00 0.00 +0.148 A ATOM 26 N LIG 1 -4.914 2.998 -0.937 0.00 0.00 -0.155 NA ATOM 27 N LIG 1 -4.122 1.991 -1.369 0.00 0.00 -0.248 N ATOM 28 C LIG 1 -4.793 1.195 -2.261 0.00 0.00 +0.125 A ATOM 29 C LIG 1 -4.219 0.025 -2.958 0.00 0.00 +0.088 C ATOM 30 N LIG 1 -6.024 1.646 -2.394 0.00 0.00 -0.217 NA ENDBRANCH 23 27 ENDBRANCH 15 23 ENDBRANCH 14 16 ENDBRANCH 1 14 BRANCH 7 31 ATOM 31 C LIG 1 5.117 1.516 0.610 0.00 0.00 +0.093 C BRANCH 31 32 ATOM 32 C LIG 1 5.624 1.866 -0.768 0.00 0.00 -0.006 A ATOM 33 C LIG 1 4.994 2.856 -1.529 0.00 0.00 +0.130 A ATOM 34 F LIG 1 3.939 3.514 -1.026 0.00 0.00 -0.205 F ATOM 35 C LIG 1 5.435 3.179 -2.807 0.00 0.00 +0.077 A ATOM 36 C LIG 1 6.522 2.496 -3.333 0.00 0.00 +0.126 A ATOM 37 F LIG 1 6.957 2.796 -4.564 0.00 0.00 -0.205 F ATOM 38 C LIG 1 7.168 1.502 -2.604 0.00 0.00 +0.039 A ATOM 39 C LIG 1 6.718 1.183 -1.322 0.00 0.00 +0.009 A ENDBRANCH 31 32 ENDBRANCH 7 31 TORSDOF 6