REMARK Name = BDB059847 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.836 -3.084 -0.107 0.00 0.00 +0.056 A ATOM 2 C LIG 1 1.629 -2.050 -1.058 0.00 0.00 +0.006 A ATOM 3 C LIG 1 0.482 -1.223 -0.923 0.00 0.00 +0.007 A ATOM 4 C LIG 1 0.281 -0.184 -1.862 0.00 0.00 +0.010 A ATOM 5 C LIG 1 1.175 0.048 -2.906 0.00 0.00 +0.001 A ATOM 6 C LIG 1 2.294 -0.757 -3.041 0.00 0.00 +0.001 A ATOM 7 C LIG 1 -0.418 -1.458 0.148 0.00 0.00 +0.060 A ATOM 8 C LIG 1 -0.185 -2.485 1.070 0.00 0.00 +0.027 A ATOM 9 C LIG 1 2.517 -1.791 -2.132 0.00 0.00 +0.010 A ATOM 10 C LIG 1 0.936 -3.294 0.939 0.00 0.00 +0.027 A ENDROOT BRANCH 1 11 ATOM 11 N LIG 1 3.012 -3.895 -0.143 0.00 0.00 -0.216 N ATOM 12 H LIG 1 3.384 -4.172 -1.048 0.00 0.00 +0.174 HD BRANCH 11 13 ATOM 13 S LIG 1 4.213 -3.657 1.019 0.00 0.00 +0.072 S ATOM 14 O LIG 1 3.675 -3.949 2.330 0.00 0.00 -0.150 OA ATOM 15 O LIG 1 5.389 -4.342 0.523 0.00 0.00 -0.150 OA BRANCH 13 19 ATOM 16 C LIG 1 5.052 0.833 0.808 0.00 0.00 +0.120 A ATOM 17 C LIG 1 4.122 0.330 1.724 0.00 0.00 +0.047 A ATOM 18 C LIG 1 3.867 -1.040 1.800 0.00 0.00 +0.032 A ATOM 19 C LIG 1 4.538 -1.910 0.938 0.00 0.00 +0.109 A ATOM 20 C LIG 1 5.488 -1.423 0.037 0.00 0.00 +0.032 A ATOM 21 C LIG 1 5.739 -0.048 -0.030 0.00 0.00 +0.047 A BRANCH 16 23 ATOM 22 C LIG 1 6.116 2.763 -0.086 0.00 0.00 +0.277 C ATOM 23 O LIG 1 5.200 2.193 0.840 0.00 0.00 -0.495 OA ENDBRANCH 16 23 ENDBRANCH 13 19 ENDBRANCH 11 13 ENDBRANCH 1 11 BRANCH 7 24 ATOM 24 N LIG 1 -1.561 -0.581 0.320 0.00 0.00 -0.189 N BRANCH 24 25 ATOM 25 S LIG 1 -3.059 -1.422 0.173 0.00 0.00 +0.075 S ATOM 26 O LIG 1 -2.986 -2.332 -0.951 0.00 0.00 -0.150 OA ATOM 27 O LIG 1 -3.416 -1.904 1.494 0.00 0.00 -0.150 OA BRANCH 25 28 ATOM 28 C LIG 1 -4.232 -0.168 -0.277 0.00 0.00 +0.109 A ATOM 29 C LIG 1 -4.153 0.414 -1.542 0.00 0.00 +0.032 A ATOM 30 C LIG 1 -5.079 1.395 -1.902 0.00 0.00 +0.047 A ATOM 31 C LIG 1 -6.092 1.781 -1.017 0.00 0.00 +0.120 A ATOM 32 C LIG 1 -6.175 1.176 0.239 0.00 0.00 +0.047 A ATOM 33 C LIG 1 -5.248 0.197 0.611 0.00 0.00 +0.032 A BRANCH 31 34 ATOM 34 O LIG 1 -6.927 2.752 -1.496 0.00 0.00 -0.495 OA ATOM 35 C LIG 1 -8.041 3.103 -0.685 0.00 0.00 +0.277 C ENDBRANCH 31 34 ENDBRANCH 25 28 ENDBRANCH 24 25 BRANCH 24 36 ATOM 36 C LIG 1 -1.493 0.444 1.427 0.00 0.00 +0.203 C ATOM 37 C LIG 1 -0.074 0.804 1.876 0.00 0.00 +0.042 C BRANCH 36 38 ATOM 38 C LIG 1 -2.119 1.740 0.938 0.00 0.00 +0.327 C ATOM 39 O LIG 1 -1.921 2.290 -0.135 0.00 0.00 -0.249 OA BRANCH 38 40 ATOM 40 O LIG 1 -2.954 2.297 1.839 0.00 0.00 -0.479 OA ATOM 41 H LIG 1 -3.300 3.092 1.378 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 36 38 ENDBRANCH 24 36 ENDBRANCH 7 24 TORSDOF 11