REMARK Name = BDB027689 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.242 0.449 -0.864 0.00 0.00 +0.135 A ATOM 2 C LIG 1 -1.040 1.278 -1.669 0.00 0.00 +0.043 A ATOM 3 C LIG 1 -2.066 1.948 -1.001 0.00 0.00 +0.095 A ATOM 4 C LIG 1 -2.859 2.777 -1.780 0.00 0.00 +0.139 A ATOM 5 N LIG 1 -2.730 2.983 -3.118 0.00 0.00 -0.261 NA ATOM 6 C LIG 1 -1.744 2.309 -3.733 0.00 0.00 +0.111 A ATOM 7 N LIG 1 -2.293 1.817 0.315 0.00 0.00 -0.226 NA ATOM 8 C LIG 1 -1.486 0.990 0.998 0.00 0.00 +0.162 A ATOM 9 C LIG 1 -0.884 1.457 -3.065 0.00 0.00 +0.033 A ATOM 10 N LIG 1 -0.471 0.305 0.453 0.00 0.00 -0.212 NA ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 -1.724 0.826 2.443 0.00 0.00 +0.022 A ATOM 12 C LIG 1 -0.892 0.021 3.236 0.00 0.00 +0.031 A ATOM 13 C LIG 1 -1.153 -0.106 4.591 0.00 0.00 +0.111 A ATOM 14 N LIG 1 -2.178 0.506 5.217 0.00 0.00 -0.263 NA ATOM 15 C LIG 1 -2.975 1.279 4.452 0.00 0.00 +0.111 A ATOM 16 C LIG 1 -2.792 1.466 3.091 0.00 0.00 +0.031 A ENDBRANCH 8 11 BRANCH 1 17 ATOM 17 N LIG 1 0.855 -0.235 -1.458 0.00 0.00 -0.299 N ATOM 18 H LIG 1 1.457 0.454 -1.894 0.00 0.00 +0.154 HD BRANCH 17 21 ATOM 19 C LIG 1 3.652 -0.604 -2.269 0.00 0.00 +0.045 C ATOM 20 C LIG 1 2.939 -1.537 -1.328 0.00 0.00 -0.029 A ATOM 21 C LIG 1 1.601 -1.317 -0.925 0.00 0.00 +0.035 A ATOM 22 C LIG 1 0.996 -2.270 -0.088 0.00 0.00 +0.023 A ATOM 23 C LIG 1 1.704 -3.372 0.396 0.00 0.00 +0.002 A ATOM 24 C LIG 1 3.031 -3.558 0.031 0.00 0.00 +0.000 A ATOM 25 C LIG 1 3.643 -2.649 -0.830 0.00 0.00 +0.005 A ENDBRANCH 17 21 ENDBRANCH 1 17 TORSDOF 3