REMARK Name = BDB027707 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.846 0.779 -0.145 0.00 0.00 +0.132 A ATOM 2 C LIG 1 -0.507 2.072 -0.583 0.00 0.00 +0.043 A ATOM 3 C LIG 1 0.855 2.306 -0.773 0.00 0.00 +0.095 A ATOM 4 C LIG 1 1.204 3.581 -1.192 0.00 0.00 +0.139 A ATOM 5 N LIG 1 0.345 4.605 -1.438 0.00 0.00 -0.261 NA ATOM 6 C LIG 1 -0.961 4.343 -1.264 0.00 0.00 +0.111 A ATOM 7 N LIG 1 1.791 1.368 -0.574 0.00 0.00 -0.226 NA ATOM 8 C LIG 1 1.371 0.154 -0.189 0.00 0.00 +0.162 A ATOM 9 C LIG 1 -1.432 3.112 -0.844 0.00 0.00 +0.033 A ATOM 10 N LIG 1 0.084 -0.170 0.030 0.00 0.00 -0.212 NA ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 2.391 -0.892 0.014 0.00 0.00 +0.022 A ATOM 12 C LIG 1 2.043 -2.200 0.383 0.00 0.00 +0.031 A ATOM 13 C LIG 1 3.039 -3.148 0.563 0.00 0.00 +0.111 A ATOM 14 N LIG 1 4.352 -2.894 0.404 0.00 0.00 -0.263 NA ATOM 15 C LIG 1 4.684 -1.637 0.048 0.00 0.00 +0.111 A ATOM 16 C LIG 1 3.759 -0.625 -0.154 0.00 0.00 +0.031 A ENDBRANCH 8 11 BRANCH 1 17 ATOM 17 N LIG 1 -2.192 0.469 0.084 0.00 0.00 -0.311 N ATOM 18 H LIG 1 -2.594 1.173 0.702 0.00 0.00 +0.149 HD BRANCH 17 20 ATOM 19 C LIG 1 -2.096 -1.317 1.829 0.00 0.00 +0.047 C ATOM 20 C LIG 1 -2.654 -0.887 0.462 0.00 0.00 +0.115 C ATOM 21 C LIG 1 -2.331 -1.919 -0.630 0.00 0.00 +0.047 C BRANCH 20 22 ATOM 22 C LIG 1 -4.145 -0.836 0.593 0.00 0.00 +0.088 C ATOM 23 N LIG 1 -5.299 -0.772 0.714 0.00 0.00 -0.194 NA ENDBRANCH 20 22 ENDBRANCH 17 20 ENDBRANCH 1 17 TORSDOF 4