REMARK Name = BDB015610 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.435 1.583 -1.159 0.00 0.00 +0.148 A ATOM 2 C LIG 1 -1.851 0.470 -0.449 0.00 0.00 +0.017 A ATOM 3 C LIG 1 -3.261 0.277 0.012 0.00 0.00 +0.049 C ATOM 4 C LIG 1 -0.826 -0.416 -0.146 0.00 0.00 +0.084 A ATOM 5 N LIG 1 0.446 -0.240 -0.560 0.00 0.00 -0.194 NA ATOM 6 C LIG 1 0.716 0.893 -1.222 0.00 0.00 +0.326 A ATOM 7 N LIG 1 -0.180 1.824 -1.553 0.00 0.00 -0.178 NA ENDROOT BRANCH 4 8 ATOM 8 C LIG 1 -1.031 -1.632 0.672 0.00 0.00 +0.017 A ATOM 9 C LIG 1 -0.784 -2.828 0.110 0.00 0.00 +0.098 A ATOM 10 N LIG 1 -0.958 -4.015 0.803 0.00 0.00 -0.317 N ATOM 11 C LIG 1 -0.671 -5.263 0.114 0.00 0.00 +0.152 C ATOM 12 C LIG 1 -1.394 -4.052 2.128 0.00 0.00 +0.254 A ATOM 13 O LIG 1 -1.579 -5.087 2.765 0.00 0.00 -0.267 OA ATOM 14 C LIG 1 -1.637 -2.721 2.775 0.00 0.00 +0.015 A ATOM 15 C LIG 1 -2.062 -2.735 4.208 0.00 0.00 +0.049 C ATOM 16 C LIG 1 -1.453 -1.598 2.061 0.00 0.00 +0.020 A ENDBRANCH 4 8 BRANCH 1 17 ATOM 17 N LIG 1 -2.303 2.653 -1.481 0.00 0.00 -0.204 N ATOM 18 H LIG 1 -3.241 2.412 -1.788 0.00 0.00 +0.175 HD BRANCH 17 19 ATOM 19 S LIG 1 -2.358 3.897 -0.353 0.00 0.00 +0.044 S ATOM 20 O LIG 1 -3.603 4.585 -0.629 0.00 0.00 -0.155 OA ATOM 21 O LIG 1 -2.092 3.359 0.964 0.00 0.00 -0.155 OA BRANCH 19 23 ATOM 22 C LIG 1 -0.958 6.226 -0.059 0.00 0.00 +0.030 C ATOM 23 C LIG 1 -1.007 4.950 -0.877 0.00 0.00 +0.185 C ENDBRANCH 19 23 ENDBRANCH 17 19 ENDBRANCH 1 17 BRANCH 6 24 ATOM 24 O LIG 1 2.003 1.122 -1.690 0.00 0.00 -0.420 OA BRANCH 24 25 ATOM 25 C LIG 1 3.011 0.487 -1.002 0.00 0.00 +0.170 A ATOM 26 C LIG 1 3.286 0.822 0.326 0.00 0.00 +0.166 A ATOM 27 F LIG 1 2.556 1.756 0.954 0.00 0.00 -0.202 F ATOM 28 C LIG 1 4.325 0.206 1.014 0.00 0.00 +0.042 A ATOM 29 C LIG 1 5.108 -0.747 0.365 0.00 0.00 +0.003 A ATOM 30 C LIG 1 4.854 -1.071 -0.972 0.00 0.00 +0.007 A ATOM 31 C LIG 1 3.810 -0.450 -1.675 0.00 0.00 -0.005 A ATOM 32 C LIG 1 3.542 -0.806 -3.108 0.00 0.00 +0.047 C ENDBRANCH 24 25 ENDBRANCH 6 24 TORSDOF 6