REMARK Name = BDB027665 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.480 -0.669 -0.505 0.00 0.00 +0.131 A ATOM 2 C LIG 1 -0.062 -1.814 -1.208 0.00 0.00 +0.043 A ATOM 3 C LIG 1 1.290 -2.137 -1.081 0.00 0.00 +0.095 A ATOM 4 C LIG 1 1.714 -3.270 -1.761 0.00 0.00 +0.139 A ATOM 5 N LIG 1 0.939 -4.077 -2.533 0.00 0.00 -0.261 NA ATOM 6 C LIG 1 -0.354 -3.729 -2.647 0.00 0.00 +0.111 A ATOM 7 N LIG 1 2.150 -1.411 -0.355 0.00 0.00 -0.226 NA ATOM 8 C LIG 1 1.665 -0.321 0.258 0.00 0.00 +0.162 A ATOM 9 C LIG 1 -0.895 -2.625 -2.015 0.00 0.00 +0.033 A ATOM 10 N LIG 1 0.380 0.071 0.206 0.00 0.00 -0.212 NA ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 2.604 0.495 1.051 0.00 0.00 +0.022 A ATOM 12 C LIG 1 2.188 1.659 1.716 0.00 0.00 +0.031 A ATOM 13 C LIG 1 3.107 2.393 2.449 0.00 0.00 +0.111 A ATOM 14 N LIG 1 4.406 2.058 2.572 0.00 0.00 -0.263 NA ATOM 15 C LIG 1 4.803 0.941 1.932 0.00 0.00 +0.111 A ATOM 16 C LIG 1 3.957 0.145 1.176 0.00 0.00 +0.031 A ENDBRANCH 8 11 BRANCH 1 17 ATOM 17 N LIG 1 -1.834 -0.293 -0.569 0.00 0.00 -0.321 N ATOM 18 H LIG 1 -2.387 -1.097 -0.274 0.00 0.00 +0.148 HD BRANCH 17 20 ATOM 19 C LIG 1 -1.655 2.201 -0.498 0.00 0.00 +0.033 C ATOM 20 C LIG 1 -2.343 0.949 0.072 0.00 0.00 +0.051 C ATOM 21 C LIG 1 -2.242 0.893 1.601 0.00 0.00 +0.033 C BRANCH 20 22 ATOM 22 C LIG 1 -3.857 1.019 -0.305 0.00 0.00 +0.180 C BRANCH 22 23 ATOM 23 O LIG 1 -4.034 0.927 -1.721 0.00 0.00 -0.393 OA ATOM 24 H LIG 1 -3.267 0.415 -2.046 0.00 0.00 +0.209 HD ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 17 20 ENDBRANCH 1 17 TORSDOF 5