REMARK Name = BDB033655 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.403 -0.643 -1.930 0.00 0.00 -0.028 A ATOM 2 C LIG 1 -0.154 -1.738 -2.779 0.00 0.00 -0.046 A ATOM 3 C LIG 1 -1.242 -2.672 -3.228 0.00 0.00 +0.044 C ATOM 4 C LIG 1 1.162 -1.996 -3.188 0.00 0.00 +0.004 A ATOM 5 C LIG 1 2.217 -1.175 -2.786 0.00 0.00 +0.004 A ATOM 6 C LIG 1 1.993 -0.067 -1.959 0.00 0.00 -0.038 A ATOM 7 C LIG 1 0.679 0.171 -1.532 0.00 0.00 +0.009 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 -1.787 -0.290 -1.415 0.00 0.00 +0.145 C BRANCH 8 19 ATOM 9 C LIG 1 -4.795 -0.777 -0.530 0.00 0.00 +0.189 C ATOM 10 O LIG 1 -4.393 0.581 -0.305 0.00 0.00 -0.485 OA ATOM 11 C LIG 1 -4.021 0.951 0.948 0.00 0.00 +0.150 A ATOM 12 C LIG 1 -2.999 0.402 1.704 0.00 0.00 +0.165 A ATOM 13 C LIG 1 -2.733 0.951 2.951 0.00 0.00 +0.143 A ATOM 14 N LIG 1 -3.410 2.001 3.474 0.00 0.00 -0.261 NA ATOM 15 C LIG 1 -4.375 2.541 2.704 0.00 0.00 +0.114 A ATOM 16 S LIG 1 -1.961 -0.918 1.222 0.00 0.00 +0.066 S ATOM 17 O LIG 1 -2.398 -2.065 1.991 0.00 0.00 -0.153 OA ATOM 18 O LIG 1 -0.602 -0.433 1.324 0.00 0.00 -0.153 OA ATOM 19 N LIG 1 -2.300 -1.240 -0.400 0.00 0.00 -0.169 NA ATOM 20 C LIG 1 -4.704 2.061 1.449 0.00 0.00 +0.067 A ATOM 21 C LIG 1 -3.646 -1.792 -0.669 0.00 0.00 +0.154 C BRANCH 9 23 ATOM 22 C LIG 1 -5.798 -1.708 1.706 0.00 0.00 +0.007 C ATOM 23 C LIG 1 -6.027 -1.237 0.277 0.00 0.00 +0.042 C ENDBRANCH 9 23 ENDBRANCH 8 19 ENDBRANCH 1 8 BRANCH 6 24 ATOM 24 C LIG 1 3.179 0.797 -1.527 0.00 0.00 +0.069 C BRANCH 24 25 ATOM 25 C LIG 1 3.703 0.419 -0.149 0.00 0.00 -0.001 A ATOM 26 S LIG 1 5.383 0.133 0.078 0.00 0.00 -0.090 S ATOM 27 C LIG 1 5.197 -0.224 1.738 0.00 0.00 +0.055 A ATOM 28 C LIG 1 3.871 -0.130 2.115 0.00 0.00 +0.019 A ATOM 29 C LIG 1 3.014 0.222 1.034 0.00 0.00 +0.012 A BRANCH 27 30 ATOM 30 C LIG 1 6.319 -0.577 2.602 0.00 0.00 +0.167 C ATOM 31 O LIG 1 6.178 -0.760 3.813 0.00 0.00 -0.292 OA ATOM 32 C LIG 1 7.696 -0.717 1.996 0.00 0.00 +0.092 C ENDBRANCH 27 30 ENDBRANCH 24 25 BRANCH 24 33 ATOM 33 C LIG 1 3.000 2.321 -1.759 0.00 0.00 +0.107 C ATOM 34 C LIG 1 4.330 3.079 -1.858 0.00 0.00 +0.020 C BRANCH 33 35 ATOM 35 C LIG 1 2.066 3.046 -0.809 0.00 0.00 +0.308 C ATOM 36 O LIG 1 0.953 3.435 -1.142 0.00 0.00 -0.251 OA BRANCH 35 37 ATOM 37 O LIG 1 2.539 3.269 0.433 0.00 0.00 -0.480 OA ATOM 38 H LIG 1 3.411 2.876 0.630 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 33 35 ENDBRANCH 24 33 ENDBRANCH 6 24 TORSDOF 9