REMARK Name = BDB036494 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.042 1.980 -0.067 0.00 0.00 +0.142 A ATOM 2 C LIG 1 2.702 0.809 0.401 0.00 0.00 +0.078 A ATOM 3 C LIG 1 2.103 -0.448 0.228 0.00 0.00 +0.076 A ATOM 4 C LIG 1 0.865 -0.471 -0.410 0.00 0.00 +0.171 A ATOM 5 C LIG 1 0.200 0.644 -0.879 0.00 0.00 +0.068 A ATOM 6 C LIG 1 -0.996 0.118 -1.437 0.00 0.00 +0.188 A ATOM 7 N LIG 1 -1.044 -1.211 -1.312 0.00 0.00 -0.061 NA ATOM 8 O LIG 1 0.121 -1.578 -0.665 0.00 0.00 -0.353 OA ATOM 9 C LIG 1 0.792 1.909 -0.706 0.00 0.00 +0.062 A ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 2.201 4.342 -0.412 0.00 0.00 +0.277 C ATOM 11 O LIG 1 2.719 3.156 0.178 0.00 0.00 -0.493 OA ENDBRANCH 1 11 BRANCH 2 12 ATOM 12 N LIG 1 3.980 0.968 1.001 0.00 0.00 -0.297 N ATOM 13 H LIG 1 4.098 1.930 1.327 0.00 0.00 +0.154 HD BRANCH 12 14 ATOM 14 C LIG 1 4.980 0.077 1.176 0.00 0.00 +0.119 A ATOM 15 N LIG 1 5.172 -1.029 0.396 0.00 0.00 -0.263 N ATOM 16 H LIG 1 4.626 -1.325 -0.404 0.00 0.00 +0.190 HD ATOM 17 N LIG 1 6.242 -1.760 0.743 0.00 0.00 -0.166 NA ATOM 18 C LIG 1 6.811 -1.073 1.750 0.00 0.00 +0.171 A ATOM 19 C LIG 1 6.054 0.102 2.034 0.00 0.00 +0.080 A BRANCH 18 20 ATOM 20 C LIG 1 8.050 -1.536 2.406 0.00 0.00 +0.357 C ATOM 21 O LIG 1 8.865 -2.295 1.898 0.00 0.00 -0.243 OA BRANCH 20 22 ATOM 22 O LIG 1 8.243 -1.049 3.666 0.00 0.00 -0.476 OA ATOM 23 H LIG 1 7.465 -0.581 4.015 0.00 0.00 +0.295 HD ENDBRANCH 20 22 ENDBRANCH 18 20 ENDBRANCH 12 14 ENDBRANCH 2 12 BRANCH 6 24 ATOM 24 N LIG 1 -1.991 0.891 -2.018 0.00 0.00 -0.196 N ATOM 25 H LIG 1 -1.985 1.898 -1.897 0.00 0.00 +0.175 HD BRANCH 24 26 ATOM 26 S LIG 1 -3.495 0.302 -2.466 0.00 0.00 +0.081 S ATOM 27 O LIG 1 -3.270 -0.691 -3.494 0.00 0.00 -0.150 OA ATOM 28 O LIG 1 -4.300 1.477 -2.749 0.00 0.00 -0.150 OA BRANCH 26 29 ATOM 29 C LIG 1 -4.150 -0.424 -0.992 0.00 0.00 +0.191 A ATOM 30 C LIG 1 -4.698 -1.710 -0.991 0.00 0.00 +0.150 A ATOM 31 C LIG 1 -5.195 -2.259 0.198 0.00 0.00 +0.048 A ATOM 32 C LIG 1 -5.117 -1.544 1.392 0.00 0.00 +0.007 A ATOM 33 C LIG 1 -4.579 -0.260 1.396 0.00 0.00 +0.048 A ATOM 34 C LIG 1 -4.125 0.312 0.203 0.00 0.00 +0.150 A BRANCH 30 35 ATOM 35 O LIG 1 -4.881 -2.415 -2.148 0.00 0.00 -0.493 OA ATOM 36 C LIG 1 -3.984 -3.525 -2.228 0.00 0.00 +0.277 C ENDBRANCH 30 35 BRANCH 34 37 ATOM 37 O LIG 1 -3.604 1.582 0.238 0.00 0.00 -0.493 OA ATOM 38 C LIG 1 -4.639 2.547 0.455 0.00 0.00 +0.277 C ENDBRANCH 34 37 ENDBRANCH 26 29 ENDBRANCH 24 26 ENDBRANCH 6 24 TORSDOF 10