REMARK Name = BDB061545 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.047 -1.610 -0.396 0.00 0.00 +0.190 A ATOM 2 N LIG 1 0.751 -1.331 -0.211 0.00 0.00 -0.221 NA ATOM 3 C LIG 1 0.308 -0.104 -0.577 0.00 0.00 +0.094 A ATOM 4 C LIG 1 1.142 0.837 -1.159 0.00 0.00 +0.110 A ATOM 5 C LIG 1 2.467 0.458 -1.297 0.00 0.00 +0.126 A ATOM 6 N LIG 1 2.927 -0.762 -0.934 0.00 0.00 -0.214 NA ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.130 0.103 -0.319 0.00 0.00 +0.009 A ATOM 8 C LIG 1 -2.078 -0.821 -0.809 0.00 0.00 +0.059 A ATOM 9 C LIG 1 -3.450 -0.654 -0.584 0.00 0.00 +0.166 A ATOM 10 C LIG 1 -3.884 0.455 0.156 0.00 0.00 +0.204 A ATOM 11 C LIG 1 -2.959 1.391 0.630 0.00 0.00 +0.166 A ATOM 12 C LIG 1 -1.593 1.199 0.426 0.00 0.00 +0.059 A BRANCH 9 13 ATOM 13 O LIG 1 -4.429 -1.506 -1.025 0.00 0.00 -0.491 OA ATOM 14 C LIG 1 -4.025 -2.627 -1.798 0.00 0.00 +0.277 C ENDBRANCH 9 13 BRANCH 10 15 ATOM 15 O LIG 1 -5.227 0.653 0.367 0.00 0.00 -0.488 OA ATOM 16 C LIG 1 -5.608 0.077 1.616 0.00 0.00 +0.277 C ENDBRANCH 10 15 BRANCH 11 17 ATOM 17 O LIG 1 -3.345 2.486 1.360 0.00 0.00 -0.491 OA ATOM 18 C LIG 1 -3.814 3.513 0.483 0.00 0.00 +0.277 C ENDBRANCH 11 17 ENDBRANCH 3 7 BRANCH 4 19 ATOM 19 C LIG 1 0.658 2.096 -1.628 0.00 0.00 +0.104 C ATOM 20 N LIG 1 0.258 3.112 -2.021 0.00 0.00 -0.191 NA ENDBRANCH 4 19 BRANCH 1 21 ATOM 21 S LIG 1 2.579 -3.234 0.071 0.00 0.00 -0.082 S BRANCH 21 22 ATOM 22 C LIG 1 4.374 -2.990 0.079 0.00 0.00 +0.104 C BRANCH 22 24 ATOM 23 C LIG 1 4.769 -5.438 0.796 0.00 0.00 +0.005 C ATOM 24 C LIG 1 5.175 -4.193 0.508 0.00 0.00 -0.023 C ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 1 21 BRANCH 5 25 ATOM 25 S LIG 1 3.718 1.512 -2.018 0.00 0.00 -0.042 S BRANCH 25 26 ATOM 26 C LIG 1 3.966 2.596 -0.661 0.00 0.00 +0.141 A ATOM 27 S LIG 1 5.221 3.767 -0.659 0.00 0.00 -0.069 S ATOM 28 C LIG 1 4.714 4.290 0.893 0.00 0.00 +0.067 A ATOM 29 C LIG 1 3.627 3.548 1.299 0.00 0.00 +0.120 A ATOM 30 N LIG 1 3.203 2.577 0.412 0.00 0.00 -0.241 NA ENDBRANCH 25 26 ENDBRANCH 5 25 TORSDOF 10