REMARK Name = BDB032870 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.893 0.697 0.470 0.00 0.00 +0.046 A ATOM 2 C LIG 1 -0.539 0.949 0.801 0.00 0.00 +0.058 A ATOM 3 C LIG 1 -0.177 2.159 1.421 0.00 0.00 +0.015 A ATOM 4 C LIG 1 -1.138 3.138 1.669 0.00 0.00 +0.001 A ATOM 5 C LIG 1 -2.462 2.911 1.309 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -2.837 1.700 0.719 0.00 0.00 +0.024 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 -3.463 -2.426 -0.970 0.00 0.00 +0.109 C ATOM 8 C LIG 1 -3.486 -0.987 -0.519 0.00 0.00 +0.214 C ATOM 9 N LIG 1 -2.249 -0.557 -0.085 0.00 0.00 -0.285 N ATOM 10 H LIG 1 -1.492 -1.246 -0.101 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 -4.524 -0.335 -0.549 0.00 0.00 -0.276 OA ENDBRANCH 1 9 BRANCH 2 12 ATOM 12 C LIG 1 0.516 -0.069 0.495 0.00 0.00 +0.251 C ATOM 13 N LIG 1 1.743 0.448 0.141 0.00 0.00 -0.261 N ATOM 14 H LIG 1 1.877 1.439 0.015 0.00 0.00 +0.157 HD ATOM 15 O LIG 1 0.204 -1.256 0.524 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 2.809 -0.351 -0.167 0.00 0.00 +0.166 A ATOM 17 S LIG 1 4.200 0.509 -0.659 0.00 0.00 -0.042 S ATOM 18 C LIG 1 5.028 -0.979 -0.853 0.00 0.00 +0.110 A ATOM 19 C LIG 1 4.186 -2.021 -0.527 0.00 0.00 +0.139 A ATOM 20 N LIG 1 2.913 -1.654 -0.132 0.00 0.00 -0.232 NA BRANCH 18 21 ATOM 21 C LIG 1 6.377 -1.104 -1.284 0.00 0.00 +0.108 C ATOM 22 N LIG 1 7.478 -1.209 -1.634 0.00 0.00 -0.190 NA ENDBRANCH 18 21 ENDBRANCH 13 16 ENDBRANCH 2 12 TORSDOF 4