REMARK Name = BDB015488 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.830 -1.339 0.276 0.00 0.00 +0.145 A ATOM 2 N LIG 1 0.724 -0.191 -0.391 0.00 0.00 -0.178 NA ATOM 3 C LIG 1 -0.352 -0.081 -1.182 0.00 0.00 +0.326 A ATOM 4 N LIG 1 -1.252 -1.042 -1.421 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -1.062 -2.212 -0.781 0.00 0.00 +0.081 A ATOM 6 C LIG 1 -0.014 -2.411 0.095 0.00 0.00 +0.073 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -2.089 -3.254 -1.030 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -1.728 -4.538 -1.213 0.00 0.00 +0.098 A ATOM 9 N LIG 1 -2.659 -5.543 -1.430 0.00 0.00 -0.317 N ATOM 10 C LIG 1 -2.179 -6.906 -1.614 0.00 0.00 +0.152 C ATOM 11 C LIG 1 -4.032 -5.298 -1.493 0.00 0.00 +0.254 A ATOM 12 O LIG 1 -4.882 -6.168 -1.671 0.00 0.00 -0.267 OA ATOM 13 C LIG 1 -4.444 -3.868 -1.333 0.00 0.00 +0.015 A ATOM 14 C LIG 1 -5.904 -3.570 -1.436 0.00 0.00 +0.049 C ATOM 15 C LIG 1 -3.505 -2.932 -1.121 0.00 0.00 +0.020 A ENDBRANCH 5 7 BRANCH 1 16 ATOM 16 N LIG 1 1.985 -1.488 1.078 0.00 0.00 -0.204 N ATOM 17 H LIG 1 2.091 -2.357 1.596 0.00 0.00 +0.175 HD BRANCH 16 18 ATOM 18 S LIG 1 2.462 -0.184 2.026 0.00 0.00 +0.044 S ATOM 19 O LIG 1 3.293 -0.777 3.056 0.00 0.00 -0.155 OA ATOM 20 O LIG 1 1.311 0.613 2.388 0.00 0.00 -0.155 OA BRANCH 18 21 ATOM 21 C LIG 1 3.539 0.726 0.916 0.00 0.00 +0.188 C BRANCH 21 22 ATOM 22 C LIG 1 4.106 1.970 1.593 0.00 0.00 +0.024 C BRANCH 22 24 ATOM 23 C LIG 1 5.641 3.954 1.323 0.00 0.00 +0.004 C ATOM 24 C LIG 1 5.035 2.733 0.648 0.00 0.00 -0.002 C ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 18 21 ENDBRANCH 16 18 ENDBRANCH 1 16 BRANCH 3 25 ATOM 25 O LIG 1 -0.559 1.117 -1.853 0.00 0.00 -0.422 OA BRANCH 25 26 ATOM 26 C LIG 1 -0.421 2.232 -1.056 0.00 0.00 +0.153 A ATOM 27 C LIG 1 0.694 3.065 -1.181 0.00 0.00 +0.094 A ATOM 28 C LIG 1 0.792 4.196 -0.362 0.00 0.00 +0.026 A ATOM 29 C LIG 1 -0.221 4.497 0.557 0.00 0.00 +0.047 A ATOM 30 C LIG 1 -1.345 3.673 0.663 0.00 0.00 +0.124 A ATOM 31 C LIG 1 -1.446 2.547 -0.155 0.00 0.00 +0.093 A BRANCH 27 32 ATOM 32 C LIG 1 1.740 2.774 -2.112 0.00 0.00 +0.103 C ATOM 33 N LIG 1 2.616 2.554 -2.844 0.00 0.00 -0.191 NA ENDBRANCH 27 32 BRANCH 30 34 ATOM 34 O LIG 1 -2.406 3.862 1.506 0.00 0.00 -0.495 OA ATOM 35 C LIG 1 -2.299 4.926 2.445 0.00 0.00 +0.277 C ENDBRANCH 30 34 ENDBRANCH 25 26 ENDBRANCH 3 25 TORSDOF 10