REMARK Name = BDB033410 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.313 0.446 1.588 0.00 0.00 +0.077 A ATOM 2 C LIG 1 1.851 -0.528 0.656 0.00 0.00 +0.019 A ATOM 3 C LIG 1 1.095 0.153 -0.302 0.00 0.00 +0.070 A ATOM 4 C LIG 1 0.478 -0.499 -1.376 0.00 0.00 +0.072 A ATOM 5 C LIG 1 0.636 -1.883 -1.482 0.00 0.00 +0.026 A ATOM 6 C LIG 1 1.387 -2.588 -0.543 0.00 0.00 +0.003 A ATOM 7 N LIG 1 1.127 1.490 0.030 0.00 0.00 -0.358 N ATOM 8 H LIG 1 0.677 2.217 -0.512 0.00 0.00 +0.165 HD ATOM 9 C LIG 1 1.996 -1.926 0.529 0.00 0.00 +0.011 A ATOM 10 C LIG 1 1.849 1.678 1.177 0.00 0.00 +0.102 A ENDROOT BRANCH 1 12 ATOM 11 N LIG 1 3.779 0.029 3.683 0.00 0.00 -0.191 NA ATOM 12 C LIG 1 3.120 0.216 2.745 0.00 0.00 +0.101 C ENDBRANCH 1 12 BRANCH 4 13 ATOM 13 N LIG 1 -0.343 0.233 -2.290 0.00 0.00 -0.214 N ATOM 14 H LIG 1 -0.187 -0.051 -3.260 0.00 0.00 +0.174 HD BRANCH 13 15 ATOM 15 S LIG 1 -2.025 0.108 -2.023 0.00 0.00 +0.080 S ATOM 16 O LIG 1 -2.374 -1.295 -1.967 0.00 0.00 -0.149 OA ATOM 17 O LIG 1 -2.659 0.990 -2.979 0.00 0.00 -0.149 OA BRANCH 15 18 ATOM 18 C LIG 1 -2.398 0.747 -0.429 0.00 0.00 +0.165 A ATOM 19 S LIG 1 -2.345 2.445 -0.209 0.00 0.00 -0.055 S ATOM 20 C LIG 1 -2.779 2.227 1.436 0.00 0.00 +0.157 A ATOM 21 N LIG 1 -2.941 0.985 1.833 0.00 0.00 -0.254 NA ATOM 22 C LIG 1 -2.728 0.136 0.762 0.00 0.00 +0.147 A ENDBRANCH 15 18 ENDBRANCH 13 15 ENDBRANCH 4 13 TORSDOF 4