REMARK Name = BDB059665 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.066 -0.857 0.315 0.00 0.00 +0.059 A ATOM 2 C LIG 1 2.500 -0.722 0.771 0.00 0.00 +0.280 A ATOM 3 O LIG 1 3.239 -1.660 1.043 0.00 0.00 -0.265 OA ATOM 4 N LIG 1 2.956 0.600 0.881 0.00 0.00 -0.179 N ATOM 5 C LIG 1 2.190 1.714 0.618 0.00 0.00 +0.157 A ATOM 6 C LIG 1 2.985 2.807 0.857 0.00 0.00 +0.114 A ATOM 7 C LIG 1 4.220 2.268 1.257 0.00 0.00 +0.156 A ATOM 8 N LIG 1 0.916 1.523 0.220 0.00 0.00 -0.327 N ATOM 9 H LIG 1 0.260 2.288 0.087 0.00 0.00 +0.169 HD ATOM 10 N LIG 1 4.218 0.931 1.278 0.00 0.00 -0.169 NA ATOM 11 C LIG 1 0.341 0.273 0.080 0.00 0.00 +0.109 A ENDROOT BRANCH 11 12 ATOM 12 N LIG 1 -0.997 0.226 -0.302 0.00 0.00 -0.316 N ATOM 13 C LIG 1 -2.037 -0.155 0.675 0.00 0.00 +0.106 C ATOM 14 C LIG 1 -3.236 0.784 0.590 0.00 0.00 +0.019 C ATOM 15 C LIG 1 -3.873 0.759 -0.799 0.00 0.00 +0.003 C ATOM 16 C LIG 1 -2.860 0.454 -1.901 0.00 0.00 +0.019 C ATOM 17 C LIG 1 -1.459 0.918 -1.518 0.00 0.00 +0.106 C ENDBRANCH 11 12 BRANCH 1 19 ATOM 18 C LIG 1 0.423 -3.037 1.436 0.00 0.00 +0.012 C ATOM 19 C LIG 1 0.543 -2.273 0.115 0.00 0.00 +0.022 C ATOM 20 C LIG 1 1.349 -3.068 -0.918 0.00 0.00 +0.012 C ENDBRANCH 1 19 BRANCH 6 21 ATOM 21 C LIG 1 2.630 4.176 0.724 0.00 0.00 +0.104 C ATOM 22 N LIG 1 2.328 5.290 0.613 0.00 0.00 -0.191 NA ENDBRANCH 6 21 TORSDOF 3