REMARK Name = BDB037203 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.277 0.895 -0.387 0.00 0.00 -0.180 N ATOM 2 H LIG 1 0.256 1.471 -1.026 0.00 0.00 +0.177 HD ATOM 3 C LIG 1 0.256 -0.182 0.332 0.00 0.00 +0.281 C ATOM 4 O LIG 1 -0.421 -0.904 1.044 0.00 0.00 -0.267 OA ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 1.730 -0.431 0.146 0.00 0.00 +0.131 A ATOM 6 N LIG 1 2.323 -1.147 1.137 0.00 0.00 -0.208 NA ATOM 7 C LIG 1 3.645 -1.390 1.039 0.00 0.00 +0.220 A ATOM 8 C LIG 1 4.432 -0.966 -0.029 0.00 0.00 +0.035 A ATOM 9 C LIG 1 3.802 -0.233 -1.043 0.00 0.00 +0.013 A ATOM 10 C LIG 1 2.437 0.041 -0.958 0.00 0.00 +0.033 A BRANCH 7 11 ATOM 11 O LIG 1 4.277 -2.097 2.043 0.00 0.00 -0.479 OA ATOM 12 C LIG 1 3.430 -2.402 3.152 0.00 0.00 +0.279 C ENDBRANCH 7 11 BRANCH 8 13 ATOM 13 C LIG 1 5.909 -1.252 -0.079 0.00 0.00 +0.184 C BRANCH 13 14 ATOM 14 N LIG 1 6.744 -0.242 0.573 0.00 0.00 -0.267 N ATOM 15 N LIG 1 8.085 -0.400 0.527 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 8.557 0.653 1.196 0.00 0.00 +0.134 A ATOM 17 C LIG 1 7.539 1.492 1.664 0.00 0.00 +0.041 A ATOM 18 C LIG 1 6.378 0.890 1.242 0.00 0.00 +0.108 A ENDBRANCH 13 14 ENDBRANCH 8 13 ENDBRANCH 3 5 BRANCH 1 19 ATOM 19 S LIG 1 -1.865 1.382 -0.347 0.00 0.00 +0.082 S ATOM 20 O LIG 1 -1.963 2.408 -1.375 0.00 0.00 -0.150 OA ATOM 21 O LIG 1 -2.159 1.714 1.031 0.00 0.00 -0.150 OA BRANCH 19 23 ATOM 22 C LIG 1 -2.385 -0.826 -1.928 0.00 0.00 +0.150 A ATOM 23 C LIG 1 -2.852 0.022 -0.907 0.00 0.00 +0.191 A ATOM 24 C LIG 1 -4.115 -0.210 -0.337 0.00 0.00 +0.151 A ATOM 25 C LIG 1 -4.873 -1.321 -0.720 0.00 0.00 +0.048 A ATOM 26 C LIG 1 -4.410 -2.170 -1.718 0.00 0.00 +0.007 A ATOM 27 C LIG 1 -3.185 -1.909 -2.335 0.00 0.00 +0.048 A BRANCH 22 29 ATOM 28 C LIG 1 -0.455 -1.666 -3.056 0.00 0.00 +0.277 C ATOM 29 O LIG 1 -1.184 -0.534 -2.545 0.00 0.00 -0.493 OA ENDBRANCH 22 29 BRANCH 24 30 ATOM 30 O LIG 1 -4.687 0.585 0.617 0.00 0.00 -0.490 OA BRANCH 30 31 ATOM 31 C LIG 1 -5.247 1.782 0.057 0.00 0.00 +0.232 C BRANCH 31 32 ATOM 32 C LIG 1 -6.630 1.952 0.607 0.00 0.00 +0.027 C ATOM 33 C LIG 1 -6.836 2.483 2.001 0.00 0.00 +0.007 C ATOM 34 C LIG 1 -7.201 3.331 0.811 0.00 0.00 +0.007 C ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 24 30 ENDBRANCH 19 23 ENDBRANCH 1 19 TORSDOF 10