REMARK Name = BDB033560 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.169 -1.418 0.272 0.00 0.00 +0.192 A ATOM 2 C LIG 1 0.819 -0.422 0.052 0.00 0.00 +0.106 A ATOM 3 C LIG 1 1.227 -0.078 1.326 0.00 0.00 +0.173 A ATOM 4 C LIG 1 2.214 0.862 1.615 0.00 0.00 +0.055 A ATOM 5 C LIG 1 2.829 1.486 0.517 0.00 0.00 -0.019 A ATOM 6 C LIG 1 2.422 1.168 -0.796 0.00 0.00 +0.052 A ATOM 7 O LIG 1 0.516 -0.793 2.236 0.00 0.00 -0.353 OA ATOM 8 C LIG 1 1.400 0.236 -1.047 0.00 0.00 +0.145 A ATOM 9 N LIG 1 -0.370 -1.626 1.576 0.00 0.00 -0.060 NA ENDROOT BRANCH 1 10 ATOM 10 N LIG 1 -0.845 -2.082 -0.745 0.00 0.00 -0.196 N ATOM 11 H LIG 1 -0.675 -1.796 -1.706 0.00 0.00 +0.175 HD BRANCH 10 12 ATOM 12 S LIG 1 -2.361 -2.772 -0.545 0.00 0.00 +0.081 S ATOM 13 O LIG 1 -2.221 -3.852 0.408 0.00 0.00 -0.150 OA ATOM 14 O LIG 1 -2.854 -3.034 -1.884 0.00 0.00 -0.150 OA BRANCH 12 16 ATOM 15 C LIG 1 -4.154 -1.636 1.239 0.00 0.00 +0.150 A ATOM 16 C LIG 1 -3.348 -1.456 0.112 0.00 0.00 +0.191 A ATOM 17 C LIG 1 -3.322 -0.203 -0.522 0.00 0.00 +0.150 A ATOM 18 C LIG 1 -4.043 0.872 0.008 0.00 0.00 +0.048 A ATOM 19 C LIG 1 -4.840 0.688 1.135 0.00 0.00 +0.007 A ATOM 20 C LIG 1 -4.910 -0.567 1.737 0.00 0.00 +0.048 A BRANCH 15 22 ATOM 21 C LIG 1 -3.674 -2.945 3.079 0.00 0.00 +0.277 C ATOM 22 O LIG 1 -4.329 -2.864 1.812 0.00 0.00 -0.493 OA ENDBRANCH 15 22 BRANCH 17 23 ATOM 23 O LIG 1 -2.546 0.009 -1.635 0.00 0.00 -0.493 OA ATOM 24 C LIG 1 -3.364 0.197 -2.795 0.00 0.00 +0.277 C ENDBRANCH 17 23 ENDBRANCH 12 16 ENDBRANCH 10 12 ENDBRANCH 1 10 BRANCH 5 25 ATOM 25 C LIG 1 3.933 2.497 0.743 0.00 0.00 +0.178 C BRANCH 25 26 ATOM 26 N LIG 1 5.227 1.977 0.324 0.00 0.00 -0.267 N ATOM 27 N LIG 1 5.716 2.288 -0.895 0.00 0.00 -0.179 NA ATOM 28 C LIG 1 6.896 1.662 -0.930 0.00 0.00 +0.134 A ATOM 29 C LIG 1 7.167 0.963 0.260 0.00 0.00 +0.041 A ATOM 30 C LIG 1 6.070 1.190 1.057 0.00 0.00 +0.108 A ENDBRANCH 25 26 ENDBRANCH 5 25 BRANCH 8 31 ATOM 31 O LIG 1 0.981 -0.089 -2.310 0.00 0.00 -0.405 OA BRANCH 31 32 ATOM 32 C LIG 1 0.646 1.040 -3.113 0.00 0.00 +0.575 C ATOM 33 F LIG 1 -0.140 0.621 -4.129 0.00 0.00 -0.133 F ATOM 34 F LIG 1 1.755 1.597 -3.638 0.00 0.00 -0.133 F ATOM 35 F LIG 1 -0.036 1.968 -2.409 0.00 0.00 -0.133 F ENDBRANCH 31 32 ENDBRANCH 8 31 TORSDOF 9