REMARK Name = BDB032659 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.311 -0.797 0.403 0.00 0.00 +0.173 A ATOM 2 O LIG 1 -0.651 0.369 0.671 0.00 0.00 -0.353 OA ATOM 3 N LIG 1 0.626 0.096 1.118 0.00 0.00 -0.061 NA ATOM 4 C LIG 1 0.729 -1.231 1.141 0.00 0.00 +0.181 A ATOM 5 C LIG 1 -0.457 -1.840 0.682 0.00 0.00 +0.098 A ENDROOT BRANCH 1 8 ATOM 6 C LIG 1 -4.402 0.756 -1.127 0.00 0.00 -0.021 A ATOM 7 C LIG 1 -3.103 0.567 -0.638 0.00 0.00 +0.021 A ATOM 8 C LIG 1 -2.685 -0.665 -0.090 0.00 0.00 +0.062 A ATOM 9 C LIG 1 -3.613 -1.730 -0.041 0.00 0.00 +0.131 A ATOM 10 C LIG 1 -4.907 -1.545 -0.546 0.00 0.00 +0.047 A ATOM 11 C LIG 1 -5.295 -0.316 -1.085 0.00 0.00 +0.009 A BRANCH 9 12 ATOM 12 O LIG 1 -3.180 -2.912 0.508 0.00 0.00 -0.494 OA ATOM 13 C LIG 1 -4.152 -3.923 0.751 0.00 0.00 +0.277 C ENDBRANCH 9 12 BRANCH 6 14 ATOM 14 C LIG 1 -4.815 2.080 -1.723 0.00 0.00 +0.194 C BRANCH 14 16 ATOM 15 C LIG 1 -6.013 3.114 0.042 0.00 0.00 +0.194 C ATOM 16 O LIG 1 -6.091 2.504 -1.240 0.00 0.00 -0.378 OA ENDBRANCH 14 16 ENDBRANCH 6 14 ENDBRANCH 1 8 BRANCH 4 17 ATOM 17 N LIG 1 1.866 -1.936 1.509 0.00 0.00 -0.201 N ATOM 18 H LIG 1 1.810 -2.951 1.552 0.00 0.00 +0.175 HD BRANCH 17 19 ATOM 19 S LIG 1 3.096 -1.331 2.454 0.00 0.00 +0.045 S ATOM 20 O LIG 1 2.625 -0.264 3.306 0.00 0.00 -0.155 OA ATOM 21 O LIG 1 3.700 -2.512 3.043 0.00 0.00 -0.155 OA BRANCH 19 22 ATOM 22 C LIG 1 4.274 -0.693 1.275 0.00 0.00 +0.193 C BRANCH 22 23 ATOM 23 C LIG 1 3.787 0.533 0.525 0.00 0.00 +0.059 C BRANCH 23 24 ATOM 24 C LIG 1 4.895 1.133 -0.308 0.00 0.00 -0.046 A ATOM 25 C LIG 1 5.127 0.684 -1.615 0.00 0.00 +0.004 A ATOM 26 C LIG 1 6.167 1.224 -2.373 0.00 0.00 +0.000 A ATOM 27 C LIG 1 6.987 2.212 -1.830 0.00 0.00 +0.000 A ATOM 28 C LIG 1 6.766 2.662 -0.529 0.00 0.00 +0.000 A ATOM 29 C LIG 1 5.726 2.124 0.230 0.00 0.00 +0.004 A ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 17 19 ENDBRANCH 4 17 TORSDOF 9