REMARK Name = BDB009848 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.658 -1.763 -0.732 0.00 0.00 +0.058 C ATOM 2 C LIG 1 -1.273 -2.009 -0.113 0.00 0.00 +0.223 C ATOM 3 O LIG 1 -0.870 -3.165 0.034 0.00 0.00 -0.275 OA ATOM 4 N LIG 1 -0.540 -0.921 0.351 0.00 0.00 -0.288 N ATOM 5 C LIG 1 -0.875 0.493 0.043 0.00 0.00 +0.114 C ATOM 6 C LIG 1 -2.187 0.747 -0.745 0.00 0.00 +0.045 C ATOM 7 C LIG 1 -2.599 -0.474 -1.572 0.00 0.00 +0.027 C ENDROOT BRANCH 5 8 ATOM 8 C LIG 1 -0.846 1.380 1.293 0.00 0.00 -0.026 A ATOM 9 C LIG 1 -1.510 1.010 2.474 0.00 0.00 +0.007 A ATOM 10 C LIG 1 -1.484 1.841 3.597 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -0.804 3.054 3.546 0.00 0.00 +0.041 A ATOM 12 CL LIG 1 -0.774 4.077 4.928 0.00 0.00 -0.084 Cl ATOM 13 C LIG 1 -0.151 3.446 2.381 0.00 0.00 +0.020 A ATOM 14 C LIG 1 -0.173 2.614 1.259 0.00 0.00 +0.007 A ENDBRANCH 5 8 BRANCH 6 15 ATOM 15 C LIG 1 -2.100 2.003 -1.614 0.00 0.00 -0.041 A ATOM 16 C LIG 1 -2.847 3.142 -1.268 0.00 0.00 +0.024 A ATOM 17 C LIG 1 -2.761 4.304 -2.035 0.00 0.00 +0.041 A ATOM 18 CL LIG 1 -3.679 5.690 -1.589 0.00 0.00 -0.084 Cl ATOM 19 C LIG 1 -1.933 4.355 -3.153 0.00 0.00 +0.020 A ATOM 20 C LIG 1 -1.185 3.234 -3.507 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -1.266 2.067 -2.742 0.00 0.00 +0.004 A ENDBRANCH 6 15 BRANCH 1 23 ATOM 22 C LIG 1 -4.283 -2.919 -2.445 0.00 0.00 +0.005 C ATOM 23 C LIG 1 -2.960 -2.966 -1.689 0.00 0.00 +0.013 C ENDBRANCH 1 23 BRANCH 4 24 ATOM 24 C LIG 1 0.811 -1.188 0.924 0.00 0.00 +0.101 C BRANCH 24 25 ATOM 25 C LIG 1 0.634 -1.882 2.272 0.00 0.00 +0.011 C ATOM 26 C LIG 1 1.817 -2.208 3.156 0.00 0.00 +0.006 C ATOM 27 C LIG 1 1.012 -3.320 2.542 0.00 0.00 +0.006 C ENDBRANCH 24 25 BRANCH 24 28 ATOM 28 C LIG 1 1.795 -1.898 -0.021 0.00 0.00 +0.189 C BRANCH 28 29 ATOM 29 S LIG 1 2.365 -0.925 -1.400 0.00 0.00 -0.026 S ATOM 30 O LIG 1 1.206 -0.529 -2.181 0.00 0.00 -0.174 OA ATOM 31 O LIG 1 3.423 -1.683 -2.042 0.00 0.00 -0.174 OA BRANCH 29 32 ATOM 32 C LIG 1 3.101 0.588 -0.723 0.00 0.00 +0.131 C ATOM 33 C LIG 1 4.165 0.325 0.344 0.00 0.00 +0.026 C ATOM 34 C LIG 1 5.500 -0.169 -0.213 0.00 0.00 +0.002 C ATOM 35 C LIG 1 5.902 0.491 -1.531 0.00 0.00 +0.000 C ATOM 36 C LIG 1 5.117 1.764 -1.809 0.00 0.00 +0.002 C ATOM 37 C LIG 1 3.614 1.493 -1.860 0.00 0.00 +0.026 C ENDBRANCH 29 32 ENDBRANCH 28 29 ENDBRANCH 24 28 ENDBRANCH 4 24 BRANCH 1 38 ATOM 38 C LIG 1 -3.709 -1.674 0.398 0.00 0.00 +0.136 C BRANCH 38 39 ATOM 39 C LIG 1 -3.594 -2.757 1.438 0.00 0.00 +0.306 C ATOM 40 O LIG 1 -3.027 -2.647 2.513 0.00 0.00 -0.251 OA BRANCH 39 41 ATOM 41 O LIG 1 -4.211 -3.897 1.087 0.00 0.00 -0.481 OA ATOM 42 H LIG 1 -4.002 -4.519 1.816 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 38 39 ENDBRANCH 1 38 TORSDOF 11