REMARK Name = BDB019873 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.578 -1.474 1.216 0.00 0.00 +0.037 A ATOM 2 C LIG 1 1.229 -2.711 1.273 0.00 0.00 +0.017 A ATOM 3 C LIG 1 2.224 -3.039 0.340 0.00 0.00 -0.035 A ATOM 4 C LIG 1 2.574 -2.084 -0.629 0.00 0.00 +0.009 A ATOM 5 C LIG 1 1.949 -0.824 -0.679 0.00 0.00 -0.027 A ATOM 6 C LIG 1 0.942 -0.529 0.252 0.00 0.00 +0.018 A ENDROOT BRANCH 1 9 ATOM 7 N LIG 1 -1.634 -0.589 1.874 0.00 0.00 -0.304 N ATOM 8 H LIG 1 -2.238 -0.436 2.669 0.00 0.00 +0.150 HD ATOM 9 C LIG 1 -0.450 -1.172 2.238 0.00 0.00 +0.245 C ATOM 10 O LIG 1 -0.235 -1.452 3.414 0.00 0.00 -0.270 OA BRANCH 7 11 ATOM 11 C LIG 1 -2.310 -0.713 0.588 0.00 0.00 +0.107 C BRANCH 11 18 ATOM 12 C LIG 1 -3.417 4.248 0.894 0.00 0.00 +0.047 C ATOM 13 C LIG 1 -3.102 3.025 0.084 0.00 0.00 -0.015 A ATOM 14 C LIG 1 -3.101 3.086 -1.310 0.00 0.00 +0.126 A ATOM 15 F LIG 1 -3.374 4.243 -1.927 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -2.835 1.961 -2.081 0.00 0.00 +0.039 A ATOM 17 C LIG 1 -2.575 0.742 -1.457 0.00 0.00 +0.008 A ATOM 18 C LIG 1 -2.581 0.636 -0.054 0.00 0.00 -0.027 A ATOM 19 C LIG 1 -2.853 1.789 0.703 0.00 0.00 +0.011 A ENDBRANCH 11 18 BRANCH 11 20 ATOM 20 C LIG 1 -3.539 -1.571 0.798 0.00 0.00 +0.014 C ATOM 21 C LIG 1 -4.885 -1.342 0.141 0.00 0.00 +0.006 C ATOM 22 C LIG 1 -4.725 -1.112 1.618 0.00 0.00 +0.006 C ENDBRANCH 11 20 ENDBRANCH 7 11 ENDBRANCH 1 9 BRANCH 3 23 ATOM 23 C LIG 1 2.911 -4.397 0.424 0.00 0.00 +0.120 C ATOM 24 C LIG 1 4.344 -4.241 0.941 0.00 0.00 +0.021 C BRANCH 23 25 ATOM 25 C LIG 1 2.885 -5.190 -0.884 0.00 0.00 +0.396 C ATOM 26 F LIG 1 1.625 -5.337 -1.352 0.00 0.00 -0.170 F ATOM 27 F LIG 1 3.621 -4.605 -1.855 0.00 0.00 -0.170 F ATOM 28 F LIG 1 3.386 -6.434 -0.698 0.00 0.00 -0.170 F ENDBRANCH 23 25 ENDBRANCH 3 23 BRANCH 5 29 ATOM 29 C LIG 1 2.341 0.172 -1.754 0.00 0.00 +0.159 C BRANCH 29 30 ATOM 30 N LIG 1 2.576 1.495 -1.218 0.00 0.00 -0.313 N ATOM 31 C LIG 1 1.782 2.625 -1.456 0.00 0.00 +0.204 A ATOM 32 N LIG 1 0.672 2.739 -2.093 0.00 0.00 -0.268 NA ATOM 33 H LIG 1 0.365 1.833 -2.441 0.00 0.00 +0.190 HD ATOM 34 N LIG 1 2.467 3.663 -0.819 0.00 0.00 -0.320 N ATOM 35 C LIG 1 1.932 4.995 -0.691 0.00 0.00 +0.152 C ATOM 36 C LIG 1 3.597 3.171 -0.185 0.00 0.00 +0.106 A ATOM 37 C LIG 1 3.674 1.857 -0.438 0.00 0.00 +0.107 A ENDBRANCH 29 30 ENDBRANCH 5 29 TORSDOF 8