REMARK Name = BDB035969 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.468 -0.591 -1.292 0.00 0.00 +0.192 A ATOM 2 C LIG 1 0.081 -0.672 -1.047 0.00 0.00 +0.106 A ATOM 3 C LIG 1 -0.411 0.555 -1.451 0.00 0.00 +0.173 A ATOM 4 C LIG 1 -1.760 0.924 -1.384 0.00 0.00 +0.055 A ATOM 5 C LIG 1 -2.677 -0.019 -0.862 0.00 0.00 -0.016 A ATOM 6 C LIG 1 -2.194 -1.264 -0.456 0.00 0.00 +0.003 A ATOM 7 C LIG 1 -2.901 -2.406 0.180 0.00 0.00 +0.080 C ATOM 8 C LIG 1 -1.828 -3.486 0.037 0.00 0.00 +0.234 C ATOM 9 O LIG 1 -0.534 -2.852 -0.070 0.00 0.00 -0.491 OA ATOM 10 O LIG 1 0.621 1.318 -1.901 0.00 0.00 -0.353 OA ATOM 11 C LIG 1 -0.840 -1.585 -0.544 0.00 0.00 +0.138 A ATOM 12 N LIG 1 1.805 0.602 -1.793 0.00 0.00 -0.060 NA ENDROOT BRANCH 1 13 ATOM 13 N LIG 1 2.365 -1.608 -1.005 0.00 0.00 -0.196 N ATOM 14 H LIG 1 2.044 -2.426 -0.490 0.00 0.00 +0.175 HD BRANCH 13 16 ATOM 15 O LIG 1 4.588 -2.674 -0.596 0.00 0.00 -0.150 OA ATOM 16 S LIG 1 4.011 -1.520 -1.256 0.00 0.00 +0.076 S ATOM 17 O LIG 1 4.195 -1.343 -2.679 0.00 0.00 -0.150 OA BRANCH 16 18 ATOM 18 C LIG 1 4.546 -0.100 -0.342 0.00 0.00 +0.145 A ATOM 19 C LIG 1 5.345 0.896 -0.921 0.00 0.00 +0.069 A ATOM 20 CL LIG 1 6.010 0.852 -2.515 0.00 0.00 -0.081 Cl ATOM 21 C LIG 1 5.710 2.027 -0.172 0.00 0.00 +0.022 A ATOM 22 C LIG 1 5.307 2.170 1.151 0.00 0.00 +0.003 A ATOM 23 C LIG 1 4.546 1.169 1.741 0.00 0.00 +0.022 A ATOM 24 C LIG 1 4.169 0.035 1.007 0.00 0.00 +0.069 A ATOM 25 CL LIG 1 3.260 -1.142 1.899 0.00 0.00 -0.081 Cl ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 1 13 BRANCH 5 26 ATOM 26 C LIG 1 -4.134 0.359 -0.739 0.00 0.00 +0.179 C BRANCH 26 27 ATOM 27 N LIG 1 -4.354 1.282 0.367 0.00 0.00 -0.267 N ATOM 28 N LIG 1 -4.411 2.610 0.136 0.00 0.00 -0.179 NA ATOM 29 C LIG 1 -4.636 3.132 1.345 0.00 0.00 +0.134 A ATOM 30 C LIG 1 -4.738 2.146 2.343 0.00 0.00 +0.041 A ATOM 31 C LIG 1 -4.560 0.956 1.679 0.00 0.00 +0.108 A ENDBRANCH 26 27 ENDBRANCH 5 26 TORSDOF 5