REMARK Name = BDB033657 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.133 1.522 0.750 0.00 0.00 -0.028 A ATOM 2 C LIG 1 0.451 2.678 0.196 0.00 0.00 -0.046 A ATOM 3 C LIG 1 -0.369 3.884 -0.179 0.00 0.00 +0.044 C ATOM 4 C LIG 1 1.825 2.682 -0.065 0.00 0.00 +0.004 A ATOM 5 C LIG 1 2.622 1.571 0.226 0.00 0.00 +0.004 A ATOM 6 C LIG 1 2.067 0.418 0.794 0.00 0.00 -0.036 A ATOM 7 C LIG 1 0.687 0.418 1.059 0.00 0.00 +0.009 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 -1.629 1.403 0.984 0.00 0.00 +0.145 C BRANCH 8 19 ATOM 9 C LIG 1 -3.274 -0.869 -1.043 0.00 0.00 +0.189 C ATOM 10 O LIG 1 -3.457 -1.209 0.339 0.00 0.00 -0.486 OA ATOM 11 C LIG 1 -4.486 -0.569 0.969 0.00 0.00 +0.147 A ATOM 12 C LIG 1 -4.866 0.770 0.846 0.00 0.00 +0.147 A ATOM 13 C LIG 1 -5.941 1.267 1.604 0.00 0.00 +0.032 A ATOM 14 C LIG 1 -6.629 0.436 2.487 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -6.237 -0.891 2.630 0.00 0.00 +0.004 A ATOM 16 S LIG 1 -4.004 1.953 -0.157 0.00 0.00 +0.065 S ATOM 17 O LIG 1 -3.962 3.194 0.593 0.00 0.00 -0.153 OA ATOM 18 O LIG 1 -4.605 1.907 -1.473 0.00 0.00 -0.153 OA ATOM 19 N LIG 1 -2.418 1.386 -0.271 0.00 0.00 -0.169 NA ATOM 20 C LIG 1 -5.169 -1.385 1.881 0.00 0.00 +0.047 A ATOM 21 C LIG 1 -2.185 0.209 -1.159 0.00 0.00 +0.154 C BRANCH 9 23 ATOM 22 C LIG 1 -3.902 -3.224 -1.757 0.00 0.00 +0.007 C ATOM 23 C LIG 1 -2.831 -2.141 -1.783 0.00 0.00 +0.042 C ENDBRANCH 9 23 ENDBRANCH 8 19 ENDBRANCH 1 8 BRANCH 6 24 ATOM 24 C LIG 1 2.873 -0.843 1.089 0.00 0.00 +0.096 C BRANCH 24 25 ATOM 25 C LIG 1 4.365 -0.651 1.115 0.00 0.00 +0.115 A ATOM 26 O LIG 1 5.041 -0.775 -0.062 0.00 0.00 -0.441 OA ATOM 27 C LIG 1 6.382 -0.547 0.181 0.00 0.00 +0.258 A ATOM 28 C LIG 1 6.529 -0.293 1.539 0.00 0.00 +0.071 A ATOM 29 C LIG 1 5.248 -0.360 2.132 0.00 0.00 +0.047 A BRANCH 27 30 ATOM 30 S LIG 1 7.580 -0.590 -1.155 0.00 0.00 +0.089 S ATOM 31 O LIG 1 8.808 -0.098 -0.578 0.00 0.00 -0.150 OA ATOM 32 O LIG 1 7.423 -1.904 -1.732 0.00 0.00 -0.150 OA BRANCH 30 33 ATOM 33 N LIG 1 7.051 0.529 -2.287 0.00 0.00 -0.201 NA ATOM 34 H LIG 1 7.023 1.483 -1.926 0.00 0.00 +0.144 HD ATOM 35 H LIG 1 6.212 0.223 -2.777 0.00 0.00 +0.144 HD ENDBRANCH 30 33 ENDBRANCH 27 30 ENDBRANCH 24 25 BRANCH 24 36 ATOM 36 C LIG 1 2.458 -2.056 0.241 0.00 0.00 +0.136 C BRANCH 36 37 ATOM 37 C LIG 1 2.235 -1.760 -1.222 0.00 0.00 +0.306 C ATOM 38 O LIG 1 1.124 -1.661 -1.726 0.00 0.00 -0.251 OA BRANCH 37 39 ATOM 39 O LIG 1 3.368 -1.654 -1.950 0.00 0.00 -0.481 OA ATOM 40 H LIG 1 4.180 -1.764 -1.412 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 24 36 ENDBRANCH 6 24 TORSDOF 10