REMARK Name = BDB015463 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.485 -0.439 0.006 0.00 0.00 +0.145 A ATOM 2 N LIG 1 0.116 0.812 -0.269 0.00 0.00 -0.178 NA ATOM 3 C LIG 1 -1.180 0.965 -0.584 0.00 0.00 +0.326 A ATOM 4 N LIG 1 -2.083 -0.023 -0.659 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -1.655 -1.267 -0.361 0.00 0.00 +0.081 A ATOM 6 C LIG 1 -0.354 -1.522 0.015 0.00 0.00 +0.073 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -2.685 -2.334 -0.423 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.372 -3.552 -0.903 0.00 0.00 +0.098 A ATOM 9 N LIG 1 -3.302 -4.577 -0.984 0.00 0.00 -0.317 N ATOM 10 C LIG 1 -2.867 -5.862 -1.512 0.00 0.00 +0.152 C ATOM 11 C LIG 1 -4.629 -4.422 -0.585 0.00 0.00 +0.254 A ATOM 12 O LIG 1 -5.473 -5.314 -0.628 0.00 0.00 -0.267 OA ATOM 13 C LIG 1 -5.003 -3.061 -0.083 0.00 0.00 +0.015 A ATOM 14 C LIG 1 -6.428 -2.855 0.317 0.00 0.00 +0.049 C ATOM 15 C LIG 1 -4.064 -2.102 -0.023 0.00 0.00 +0.020 A ENDBRANCH 5 7 BRANCH 1 16 ATOM 16 N LIG 1 1.853 -0.502 0.380 0.00 0.00 -0.204 N ATOM 17 H LIG 1 2.183 0.466 0.355 0.00 0.00 +0.175 HD BRANCH 16 18 ATOM 18 S LIG 1 2.830 -1.428 -0.640 0.00 0.00 +0.044 S ATOM 19 O LIG 1 2.203 -2.716 -0.854 0.00 0.00 -0.155 OA ATOM 20 O LIG 1 3.196 -0.587 -1.757 0.00 0.00 -0.155 OA BRANCH 18 21 ATOM 21 C LIG 1 4.271 -1.708 0.382 0.00 0.00 +0.188 C BRANCH 21 22 ATOM 22 C LIG 1 4.848 -0.480 1.079 0.00 0.00 +0.024 C BRANCH 22 24 ATOM 23 C LIG 1 6.195 1.641 0.894 0.00 0.00 +0.004 C ATOM 24 C LIG 1 5.472 0.542 0.129 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 -1.661 2.221 -0.935 0.00 0.00 -0.420 OA BRANCH 25 26 ATOM 26 C LIG 1 -0.866 3.287 -0.579 0.00 0.00 +0.174 A ATOM 27 C LIG 1 -0.840 3.760 0.744 0.00 0.00 +0.162 A ATOM 28 C LIG 1 -0.042 4.866 1.042 0.00 0.00 +0.050 A ATOM 29 C LIG 1 0.701 5.495 0.033 0.00 0.00 +0.022 A ATOM 30 C LIG 1 0.648 5.028 -1.285 0.00 0.00 +0.055 A ATOM 31 C LIG 1 -0.146 3.924 -1.594 0.00 0.00 +0.069 A BRANCH 27 32 ATOM 32 O LIG 1 -1.617 3.082 1.644 0.00 0.00 -0.491 OA ATOM 33 C LIG 1 -1.647 3.566 2.979 0.00 0.00 +0.277 C ENDBRANCH 27 32 BRANCH 30 34 ATOM 34 C LIG 1 1.404 5.685 -2.311 0.00 0.00 +0.099 C ATOM 35 N LIG 1 2.019 6.225 -3.133 0.00 0.00 -0.191 NA ENDBRANCH 30 34 ENDBRANCH 25 26 ENDBRANCH 3 25 TORSDOF 10