REMARK Name = BDB033671 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.391 -0.782 -1.892 0.00 0.00 -0.028 A ATOM 2 C LIG 1 -0.282 -1.940 -2.685 0.00 0.00 -0.046 A ATOM 3 C LIG 1 -1.462 -2.816 -2.997 0.00 0.00 +0.044 C ATOM 4 C LIG 1 0.979 -2.315 -3.174 0.00 0.00 +0.004 A ATOM 5 C LIG 1 2.114 -1.547 -2.907 0.00 0.00 +0.004 A ATOM 6 C LIG 1 2.028 -0.379 -2.139 0.00 0.00 -0.038 A ATOM 7 C LIG 1 0.770 -0.025 -1.629 0.00 0.00 +0.009 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 -1.706 -0.297 -1.310 0.00 0.00 +0.145 C BRANCH 8 19 ATOM 9 C LIG 1 -4.679 -0.452 -0.217 0.00 0.00 +0.189 C ATOM 10 O LIG 1 -4.126 0.861 -0.050 0.00 0.00 -0.485 OA ATOM 11 C LIG 1 -3.632 1.210 1.166 0.00 0.00 +0.150 A ATOM 12 C LIG 1 -2.623 0.569 1.865 0.00 0.00 +0.165 A ATOM 13 C LIG 1 -2.216 1.109 3.078 0.00 0.00 +0.143 A ATOM 14 N LIG 1 -2.740 2.234 3.620 0.00 0.00 -0.261 NA ATOM 15 C LIG 1 -3.695 2.859 2.903 0.00 0.00 +0.114 A ATOM 16 S LIG 1 -1.763 -0.860 1.347 0.00 0.00 +0.066 S ATOM 17 O LIG 1 -2.262 -1.942 2.171 0.00 0.00 -0.153 OA ATOM 18 O LIG 1 -0.356 -0.521 1.350 0.00 0.00 -0.153 OA ATOM 19 N LIG 1 -2.242 -1.172 -0.240 0.00 0.00 -0.169 NA ATOM 20 C LIG 1 -4.159 2.395 1.685 0.00 0.00 +0.067 A ATOM 21 C LIG 1 -3.654 -1.584 -0.407 0.00 0.00 +0.154 C BRANCH 9 23 ATOM 22 C LIG 1 -5.620 -1.235 2.101 0.00 0.00 +0.007 C ATOM 23 C LIG 1 -5.895 -0.767 0.679 0.00 0.00 +0.042 C ENDBRANCH 9 23 ENDBRANCH 8 19 ENDBRANCH 1 8 BRANCH 6 24 ATOM 24 C LIG 1 3.294 0.434 -1.867 0.00 0.00 +0.069 C BRANCH 24 25 ATOM 25 C LIG 1 3.872 0.205 -0.472 0.00 0.00 -0.001 A ATOM 26 S LIG 1 5.559 0.418 -0.214 0.00 0.00 -0.090 S ATOM 27 C LIG 1 5.450 0.028 1.450 0.00 0.00 +0.055 A ATOM 28 C LIG 1 4.148 -0.266 1.803 0.00 0.00 +0.019 A ATOM 29 C LIG 1 3.247 -0.165 0.703 0.00 0.00 +0.012 A BRANCH 27 30 ATOM 30 C LIG 1 6.657 0.040 2.269 0.00 0.00 +0.167 C ATOM 31 O LIG 1 7.765 0.388 1.856 0.00 0.00 -0.292 OA ATOM 32 C LIG 1 6.505 -0.394 3.708 0.00 0.00 +0.092 C ENDBRANCH 27 30 ENDBRANCH 24 25 BRANCH 24 33 ATOM 33 C LIG 1 3.248 1.939 -2.252 0.00 0.00 +0.107 C ATOM 34 C LIG 1 2.860 2.144 -3.722 0.00 0.00 +0.020 C BRANCH 33 35 ATOM 35 C LIG 1 2.367 2.798 -1.362 0.00 0.00 +0.308 C ATOM 36 O LIG 1 1.251 3.196 -1.662 0.00 0.00 -0.251 OA BRANCH 35 37 ATOM 37 O LIG 1 2.939 3.135 -0.183 0.00 0.00 -0.480 OA ATOM 38 H LIG 1 3.823 2.748 -0.031 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 33 35 ENDBRANCH 24 33 ENDBRANCH 6 24 TORSDOF 9