REMARK Name = BDB036679 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.906 -0.503 0.067 0.00 0.00 +0.078 A ATOM 2 C LIG 1 2.176 -1.670 -0.281 0.00 0.00 +0.142 A ATOM 3 C LIG 1 1.228 -1.657 -1.319 0.00 0.00 +0.062 A ATOM 4 C LIG 1 0.986 -0.455 -2.011 0.00 0.00 +0.068 A ATOM 5 C LIG 1 1.720 0.659 -1.643 0.00 0.00 +0.171 A ATOM 6 O LIG 1 1.370 1.712 -2.424 0.00 0.00 -0.353 OA ATOM 7 N LIG 1 0.405 1.315 -3.327 0.00 0.00 -0.061 NA ATOM 8 C LIG 1 0.156 0.028 -3.060 0.00 0.00 +0.188 A ATOM 9 C LIG 1 2.672 0.691 -0.626 0.00 0.00 +0.076 A ENDROOT BRANCH 1 10 ATOM 10 N LIG 1 3.860 -0.608 1.114 0.00 0.00 -0.297 N ATOM 11 H LIG 1 3.736 -1.504 1.591 0.00 0.00 +0.154 HD BRANCH 10 16 ATOM 12 C LIG 1 6.688 1.526 1.571 0.00 0.00 +0.064 A ATOM 13 N LIG 1 6.679 0.814 2.704 0.00 0.00 -0.177 NA ATOM 14 N LIG 1 5.626 -0.007 2.554 0.00 0.00 -0.264 N ATOM 15 H LIG 1 5.415 -0.657 3.300 0.00 0.00 +0.190 HD ATOM 16 C LIG 1 4.938 0.165 1.380 0.00 0.00 +0.119 A ATOM 17 C LIG 1 5.624 1.153 0.712 0.00 0.00 +0.068 A BRANCH 12 19 ATOM 18 C LIG 1 7.326 3.929 1.839 0.00 0.00 +0.010 C ATOM 19 C LIG 1 7.738 2.556 1.331 0.00 0.00 +0.054 C ENDBRANCH 12 19 ENDBRANCH 10 16 ENDBRANCH 1 10 BRANCH 2 20 ATOM 20 O LIG 1 2.477 -2.782 0.480 0.00 0.00 -0.493 OA ATOM 21 C LIG 1 1.782 -3.986 0.171 0.00 0.00 +0.277 C ENDBRANCH 2 20 BRANCH 8 22 ATOM 22 N LIG 1 -0.827 -0.606 -3.812 0.00 0.00 -0.196 N ATOM 23 H LIG 1 -1.303 0.013 -4.467 0.00 0.00 +0.175 HD BRANCH 22 24 ATOM 24 S LIG 1 -1.889 -1.756 -3.211 0.00 0.00 +0.081 S ATOM 25 O LIG 1 -3.047 -1.753 -4.084 0.00 0.00 -0.150 OA ATOM 26 O LIG 1 -1.133 -2.978 -3.036 0.00 0.00 -0.150 OA BRANCH 24 27 ATOM 27 C LIG 1 -2.424 -1.117 -1.641 0.00 0.00 +0.191 A ATOM 28 C LIG 1 -2.916 0.199 -1.568 0.00 0.00 +0.151 A ATOM 29 C LIG 1 -3.298 0.721 -0.322 0.00 0.00 +0.054 A ATOM 30 C LIG 1 -3.200 -0.040 0.854 0.00 0.00 -0.010 A ATOM 31 C LIG 1 -2.725 -1.355 0.749 0.00 0.00 +0.054 A ATOM 32 C LIG 1 -2.364 -1.900 -0.486 0.00 0.00 +0.151 A BRANCH 30 33 ATOM 33 C LIG 1 -3.580 0.483 2.233 0.00 0.00 +0.174 C ATOM 34 O LIG 1 -4.617 -0.372 2.755 0.00 0.00 -0.367 OA ATOM 35 C LIG 1 -5.871 0.293 2.940 0.00 0.00 +0.188 C ATOM 36 C LIG 1 -6.158 1.284 1.816 0.00 0.00 +0.188 C ATOM 37 O LIG 1 -5.185 2.335 1.742 0.00 0.00 -0.375 OA ATOM 38 C LIG 1 -3.935 1.982 2.352 0.00 0.00 +0.196 C ENDBRANCH 30 33 BRANCH 28 39 ATOM 39 O LIG 1 -2.998 0.905 -2.740 0.00 0.00 -0.493 OA ATOM 40 C LIG 1 -3.386 2.273 -2.679 0.00 0.00 +0.277 C ENDBRANCH 28 39 BRANCH 32 41 ATOM 41 O LIG 1 -1.897 -3.184 -0.475 0.00 0.00 -0.493 OA ATOM 42 C LIG 1 -2.979 -4.111 -0.598 0.00 0.00 +0.277 C ENDBRANCH 32 41 ENDBRANCH 24 27 ENDBRANCH 22 24 ENDBRANCH 8 22 TORSDOF 10