REMARK Name = BDB049577 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.183 0.498 -0.773 0.00 0.00 -0.215 N ATOM 2 C LIG 1 1.053 1.880 -0.880 0.00 0.00 +0.073 A ATOM 3 C LIG 1 1.597 2.419 0.293 0.00 0.00 +0.003 A ATOM 4 C LIG 1 1.613 3.816 0.481 0.00 0.00 +0.030 A ATOM 5 C LIG 1 1.085 4.647 -0.506 0.00 0.00 +0.042 A ATOM 6 C LIG 1 0.548 4.113 -1.668 0.00 0.00 +0.022 A ATOM 7 CL LIG 1 1.098 6.352 -0.276 0.00 0.00 -0.084 Cl ATOM 8 C LIG 1 2.033 1.340 1.100 0.00 0.00 +0.033 A ATOM 9 C LIG 1 0.524 2.728 -1.875 0.00 0.00 +0.029 A ATOM 10 C LIG 1 1.758 0.153 0.446 0.00 0.00 +0.044 A ENDROOT BRANCH 1 11 ATOM 11 S LIG 1 0.495 -0.632 -1.878 0.00 0.00 +0.084 S ATOM 12 O LIG 1 1.436 -1.734 -1.940 0.00 0.00 -0.148 OA ATOM 13 O LIG 1 0.105 0.085 -3.074 0.00 0.00 -0.148 OA BRANCH 11 20 ATOM 14 C LIG 1 -3.587 1.695 0.791 0.00 0.00 +0.129 C ATOM 15 N LIG 1 -4.027 0.334 0.498 0.00 0.00 -0.327 N ATOM 16 C LIG 1 -3.085 -0.607 0.041 0.00 0.00 +0.074 A ATOM 17 C LIG 1 -3.297 -1.998 0.210 0.00 0.00 +0.142 A ATOM 18 C LIG 1 -2.364 -2.946 -0.225 0.00 0.00 +0.049 A ATOM 19 C LIG 1 -1.202 -2.536 -0.869 0.00 0.00 +0.033 A ATOM 20 C LIG 1 -0.985 -1.174 -1.068 0.00 0.00 +0.113 A ATOM 21 O LIG 1 -4.406 -2.530 0.832 0.00 0.00 -0.489 OA ATOM 22 C LIG 1 -5.480 -1.588 0.916 0.00 0.00 +0.248 C ATOM 23 C LIG 1 -1.921 -0.221 -0.638 0.00 0.00 +0.055 A ATOM 24 C LIG 1 -4.991 -0.244 1.442 0.00 0.00 +0.146 C ENDBRANCH 11 20 ENDBRANCH 1 11 BRANCH 10 25 ATOM 25 C LIG 1 2.013 -1.232 0.967 0.00 0.00 +0.056 C BRANCH 25 26 ATOM 26 C LIG 1 3.505 -1.558 1.085 0.00 0.00 +0.017 C BRANCH 26 27 ATOM 27 C LIG 1 4.207 -1.711 -0.264 0.00 0.00 +0.121 C BRANCH 27 28 ATOM 28 C LIG 1 5.671 -2.007 -0.089 0.00 0.00 +0.305 C ATOM 29 O LIG 1 6.271 -2.188 0.957 0.00 0.00 -0.251 OA BRANCH 28 30 ATOM 30 O LIG 1 6.319 -2.067 -1.269 0.00 0.00 -0.481 OA ATOM 31 H LIG 1 7.246 -2.269 -1.024 0.00 0.00 +0.295 HD ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 10 25 TORSDOF 7