REMARK Name = BDB036513 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.294 -0.369 -0.801 0.00 0.00 +0.078 A ATOM 2 C LIG 1 -0.358 -1.436 -0.809 0.00 0.00 +0.142 A ATOM 3 C LIG 1 0.973 -1.239 -1.217 0.00 0.00 +0.062 A ATOM 4 C LIG 1 1.385 0.049 -1.610 0.00 0.00 +0.068 A ATOM 5 C LIG 1 0.440 1.060 -1.601 0.00 0.00 +0.171 A ATOM 6 O LIG 1 1.005 2.215 -2.037 0.00 0.00 -0.353 OA ATOM 7 N LIG 1 2.333 1.992 -2.341 0.00 0.00 -0.061 NA ATOM 8 C LIG 1 2.565 0.704 -2.059 0.00 0.00 +0.188 A ATOM 9 C LIG 1 -0.888 0.908 -1.210 0.00 0.00 +0.076 A ENDROOT BRANCH 1 10 ATOM 10 N LIG 1 -2.617 -0.653 -0.371 0.00 0.00 -0.295 N ATOM 11 H LIG 1 -2.689 -1.644 -0.148 0.00 0.00 +0.154 HD BRANCH 10 16 ATOM 12 C LIG 1 -5.843 0.619 0.240 0.00 0.00 +0.041 A ATOM 13 N LIG 1 -5.122 1.711 -0.166 0.00 0.00 -0.270 N ATOM 14 C LIG 1 -5.591 3.068 -0.320 0.00 0.00 +0.172 C ATOM 15 N LIG 1 -3.840 1.430 -0.451 0.00 0.00 -0.156 NA ATOM 16 C LIG 1 -3.715 0.121 -0.230 0.00 0.00 +0.145 A ATOM 17 C LIG 1 -4.946 -0.428 0.207 0.00 0.00 +0.068 A BRANCH 12 19 ATOM 18 C LIG 1 -7.477 0.882 2.102 0.00 0.00 +0.010 C ATOM 19 C LIG 1 -7.285 0.648 0.612 0.00 0.00 +0.052 C ENDBRANCH 12 19 ENDBRANCH 10 16 ENDBRANCH 1 10 BRANCH 2 20 ATOM 20 O LIG 1 -0.870 -2.650 -0.396 0.00 0.00 -0.493 OA ATOM 21 C LIG 1 0.041 -3.741 -0.313 0.00 0.00 +0.277 C ENDBRANCH 2 20 BRANCH 8 22 ATOM 22 N LIG 1 3.860 0.231 -2.241 0.00 0.00 -0.196 N ATOM 23 H LIG 1 4.522 0.952 -2.521 0.00 0.00 +0.175 HD BRANCH 22 24 ATOM 24 S LIG 1 4.604 -0.909 -1.263 0.00 0.00 +0.081 S ATOM 25 O LIG 1 4.016 -2.192 -1.590 0.00 0.00 -0.150 OA ATOM 26 O LIG 1 6.033 -0.722 -1.416 0.00 0.00 -0.150 OA BRANCH 24 27 ATOM 27 C LIG 1 4.199 -0.440 0.402 0.00 0.00 +0.191 A ATOM 28 C LIG 1 4.400 0.894 0.807 0.00 0.00 +0.150 A ATOM 29 C LIG 1 4.044 1.274 2.108 0.00 0.00 +0.048 A ATOM 30 C LIG 1 3.486 0.349 2.991 0.00 0.00 +0.007 A ATOM 31 C LIG 1 3.300 -0.969 2.591 0.00 0.00 +0.048 A ATOM 32 C LIG 1 3.679 -1.372 1.308 0.00 0.00 +0.150 A BRANCH 28 33 ATOM 33 O LIG 1 4.959 1.756 -0.099 0.00 0.00 -0.493 OA ATOM 34 C LIG 1 4.848 3.152 0.163 0.00 0.00 +0.277 C ENDBRANCH 28 33 BRANCH 32 35 ATOM 35 O LIG 1 3.451 -2.682 0.990 0.00 0.00 -0.493 OA ATOM 36 C LIG 1 4.583 -3.486 1.330 0.00 0.00 +0.277 C ENDBRANCH 32 35 ENDBRANCH 24 27 ENDBRANCH 22 24 ENDBRANCH 8 22 TORSDOF 9