REMARK Name = BDB036480 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.109 -0.407 -0.397 0.00 0.00 +0.079 A ATOM 2 C LIG 1 1.267 -0.620 -1.520 0.00 0.00 +0.142 A ATOM 3 C LIG 1 0.043 -1.302 -1.400 0.00 0.00 +0.062 A ATOM 4 C LIG 1 -0.361 -1.767 -0.134 0.00 0.00 +0.068 A ATOM 5 C LIG 1 0.493 -1.552 0.933 0.00 0.00 +0.171 A ATOM 6 O LIG 1 -0.041 -2.091 2.059 0.00 0.00 -0.353 OA ATOM 7 N LIG 1 -1.257 -2.673 1.758 0.00 0.00 -0.061 NA ATOM 8 C LIG 1 -1.458 -2.454 0.453 0.00 0.00 +0.188 A ATOM 9 C LIG 1 1.715 -0.887 0.859 0.00 0.00 +0.076 A ENDROOT BRANCH 1 10 ATOM 10 N LIG 1 3.322 0.291 -0.605 0.00 0.00 -0.279 N ATOM 11 H LIG 1 3.435 0.537 -1.584 0.00 0.00 +0.155 HD BRANCH 10 16 ATOM 12 C LIG 1 5.466 0.935 1.965 0.00 0.00 +0.126 A ATOM 13 N LIG 1 6.115 1.477 0.896 0.00 0.00 -0.261 N ATOM 14 H LIG 1 7.009 1.952 0.863 0.00 0.00 +0.190 HD ATOM 15 N LIG 1 5.410 1.324 -0.231 0.00 0.00 -0.136 NA ATOM 16 C LIG 1 4.327 0.668 0.200 0.00 0.00 +0.239 A ATOM 17 N LIG 1 4.332 0.419 1.547 0.00 0.00 -0.199 NA BRANCH 12 19 ATOM 18 C LIG 1 5.495 2.160 4.124 0.00 0.00 +0.012 C ATOM 19 C LIG 1 6.004 0.956 3.348 0.00 0.00 +0.072 C ENDBRANCH 12 19 ENDBRANCH 10 16 ENDBRANCH 1 10 BRANCH 2 20 ATOM 20 O LIG 1 1.757 -0.114 -2.707 0.00 0.00 -0.493 OA ATOM 21 C LIG 1 0.926 -0.233 -3.856 0.00 0.00 +0.277 C ENDBRANCH 2 20 BRANCH 8 22 ATOM 22 N LIG 1 -2.650 -2.912 -0.097 0.00 0.00 -0.196 N ATOM 23 H LIG 1 -3.284 -3.324 0.587 0.00 0.00 +0.175 HD BRANCH 22 24 ATOM 24 S LIG 1 -3.507 -2.129 -1.305 0.00 0.00 +0.081 S ATOM 25 O LIG 1 -2.777 -2.333 -2.538 0.00 0.00 -0.150 OA ATOM 26 O LIG 1 -4.880 -2.584 -1.207 0.00 0.00 -0.150 OA BRANCH 24 27 ATOM 27 C LIG 1 -3.502 -0.411 -0.849 0.00 0.00 +0.191 A ATOM 28 C LIG 1 -3.126 0.577 -1.766 0.00 0.00 +0.150 A ATOM 29 C LIG 1 -3.059 1.915 -1.370 0.00 0.00 +0.048 A ATOM 30 C LIG 1 -3.418 2.277 -0.076 0.00 0.00 +0.007 A ATOM 31 C LIG 1 -3.836 1.303 0.831 0.00 0.00 +0.048 A ATOM 32 C LIG 1 -3.877 -0.048 0.460 0.00 0.00 +0.150 A BRANCH 28 33 ATOM 33 O LIG 1 -2.744 0.303 -3.050 0.00 0.00 -0.493 OA ATOM 34 C LIG 1 -3.863 0.388 -3.936 0.00 0.00 +0.277 C ENDBRANCH 28 33 BRANCH 32 35 ATOM 35 O LIG 1 -4.285 -1.046 1.304 0.00 0.00 -0.493 OA ATOM 36 C LIG 1 -4.349 -0.750 2.695 0.00 0.00 +0.277 C ENDBRANCH 32 35 ENDBRANCH 24 27 ENDBRANCH 22 24 ENDBRANCH 8 22 TORSDOF 9