REMARK Name = BDB026494 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.731 5.214 1.025 0.00 0.00 +0.041 C ATOM 2 C LIG 1 0.736 3.687 1.079 0.00 0.00 +0.110 C ATOM 3 N LIG 1 0.269 3.078 -0.167 0.00 0.00 -0.269 N ATOM 4 C LIG 1 1.322 2.497 -0.861 0.00 0.00 +0.312 C ATOM 5 O LIG 1 1.246 2.023 -1.985 0.00 0.00 -0.252 OA ATOM 6 N LIG 1 2.435 2.535 -0.079 0.00 0.00 -0.220 N ATOM 7 C LIG 1 2.191 3.194 1.090 0.00 0.00 +0.246 C ATOM 8 O LIG 1 2.998 3.394 1.989 0.00 0.00 -0.273 OA ATOM 9 C LIG 1 -0.002 3.144 2.298 0.00 0.00 +0.041 C ENDROOT BRANCH 3 10 ATOM 10 C LIG 1 -1.029 3.413 -0.763 0.00 0.00 +0.143 C BRANCH 10 11 ATOM 11 C LIG 1 -1.772 2.264 -1.487 0.00 0.00 +0.146 C BRANCH 11 12 ATOM 12 O LIG 1 -1.238 2.100 -2.807 0.00 0.00 -0.389 OA ATOM 13 H LIG 1 -0.278 1.917 -2.712 0.00 0.00 +0.210 HD ENDBRANCH 11 12 BRANCH 11 14 ATOM 14 C LIG 1 -1.740 0.935 -0.692 0.00 0.00 +0.117 C BRANCH 14 15 ATOM 15 N LIG 1 -2.869 0.015 -0.958 0.00 0.00 -0.295 NA ATOM 16 C LIG 1 -2.754 -1.163 -0.070 0.00 0.00 +0.120 C ATOM 17 C LIG 1 -3.774 -2.248 -0.343 0.00 0.00 -0.030 A ATOM 18 C LIG 1 -4.426 -2.326 -1.584 0.00 0.00 -0.042 A ATOM 19 C LIG 1 -5.341 -3.359 -1.827 0.00 0.00 +0.004 A ATOM 20 C LIG 1 -5.588 -4.325 -0.853 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -4.926 -4.264 0.372 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -4.188 -1.263 -2.624 0.00 0.00 +0.051 C ATOM 23 C LIG 1 -4.022 -3.232 0.625 0.00 0.00 +0.005 A ATOM 24 C LIG 1 -2.920 -0.436 -2.359 0.00 0.00 +0.089 C ENDBRANCH 14 15 ENDBRANCH 11 14 ENDBRANCH 10 11 ENDBRANCH 3 10 BRANCH 6 25 ATOM 25 C LIG 1 3.690 1.909 -0.420 0.00 0.00 +0.153 C BRANCH 25 26 ATOM 26 C LIG 1 3.729 0.475 0.061 0.00 0.00 -0.029 A ATOM 27 C LIG 1 3.234 -0.559 -0.749 0.00 0.00 +0.007 A ATOM 28 C LIG 1 3.221 -1.876 -0.287 0.00 0.00 +0.027 A ATOM 29 C LIG 1 3.709 -2.161 0.990 0.00 0.00 +0.088 A ATOM 30 C LIG 1 4.184 -1.142 1.818 0.00 0.00 +0.027 A ATOM 31 C LIG 1 4.194 0.173 1.351 0.00 0.00 +0.007 A BRANCH 29 32 ATOM 32 S LIG 1 3.669 -3.833 1.589 0.00 0.00 -0.006 S ATOM 33 O LIG 1 3.680 -3.779 3.039 0.00 0.00 -0.170 OA ATOM 34 O LIG 1 2.610 -4.526 0.880 0.00 0.00 -0.170 OA ATOM 35 C LIG 1 5.223 -4.496 1.050 0.00 0.00 +0.200 C ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 8