REMARK Name = BDB032891 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.543 1.099 0.032 0.00 0.00 +0.048 A ATOM 2 C LIG 1 -0.465 1.665 -0.691 0.00 0.00 +0.058 A ATOM 3 C LIG 1 -0.555 2.995 -1.147 0.00 0.00 +0.015 A ATOM 4 C LIG 1 -1.673 3.777 -0.866 0.00 0.00 +0.001 A ATOM 5 C LIG 1 -2.714 3.244 -0.118 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -2.650 1.921 0.327 0.00 0.00 +0.024 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 -1.513 -2.708 -0.065 0.00 0.00 +0.109 C ATOM 8 C LIG 1 -1.400 -1.275 -0.530 0.00 0.00 +0.216 C ATOM 9 N LIG 1 -1.576 -0.282 0.452 0.00 0.00 -0.274 N ATOM 10 C LIG 1 -2.250 -0.595 1.711 0.00 0.00 +0.138 C ATOM 11 O LIG 1 -1.164 -1.038 -1.713 0.00 0.00 -0.276 OA ENDBRANCH 1 9 BRANCH 2 12 ATOM 12 C LIG 1 0.865 1.007 -0.917 0.00 0.00 +0.251 C ATOM 13 N LIG 1 1.257 0.145 0.081 0.00 0.00 -0.261 N ATOM 14 H LIG 1 0.638 -0.039 0.853 0.00 0.00 +0.157 HD ATOM 15 O LIG 1 1.530 1.338 -1.893 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 2.446 -0.526 0.059 0.00 0.00 +0.167 A ATOM 17 S LIG 1 2.654 -1.589 1.385 0.00 0.00 -0.030 S ATOM 18 C LIG 1 4.176 -2.030 0.756 0.00 0.00 +0.166 A ATOM 19 C LIG 1 4.427 -1.343 -0.410 0.00 0.00 +0.152 A ATOM 20 N LIG 1 3.426 -0.473 -0.806 0.00 0.00 -0.231 NA BRANCH 18 21 ATOM 21 N LIG 1 5.053 -3.010 1.410 0.00 0.00 -0.022 NA ATOM 22 O LIG 1 6.125 -3.216 0.831 0.00 0.00 -0.143 OA ENDBRANCH 18 21 ENDBRANCH 13 16 ENDBRANCH 2 12 TORSDOF 4