REMARK Name = BDB056109 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.877 -1.616 -3.175 0.00 0.00 -0.324 N ATOM 2 H LIG 1 -1.811 -1.922 -2.210 0.00 0.00 +0.148 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -2.504 -0.377 -3.302 0.00 0.00 +0.134 A ATOM 4 C LIG 1 -3.147 0.270 -2.233 0.00 0.00 +0.088 A ATOM 5 C LIG 1 -3.797 1.457 -2.530 0.00 0.00 +0.233 A ATOM 6 O LIG 1 -4.396 1.955 -1.417 0.00 0.00 -0.436 OA ATOM 7 C LIG 1 -4.125 1.111 -0.375 0.00 0.00 +0.146 A ATOM 8 N LIG 1 -3.868 2.072 -3.717 0.00 0.00 -0.200 NA ATOM 9 C LIG 1 -3.209 1.388 -4.655 0.00 0.00 +0.227 A ATOM 10 C LIG 1 -3.343 0.058 -0.831 0.00 0.00 +0.041 A ATOM 11 N LIG 1 -2.540 0.229 -4.515 0.00 0.00 -0.220 NA BRANCH 7 12 ATOM 12 C LIG 1 -4.694 1.528 0.907 0.00 0.00 +0.018 A ATOM 13 C LIG 1 -5.907 2.233 0.946 0.00 0.00 +0.011 A ATOM 14 C LIG 1 -6.470 2.635 2.161 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -5.824 2.339 3.358 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -4.615 1.647 3.339 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -4.054 1.247 2.123 0.00 0.00 +0.011 A ENDBRANCH 7 12 BRANCH 10 18 ATOM 18 C LIG 1 -2.847 -1.018 0.002 0.00 0.00 -0.014 A ATOM 19 C LIG 1 -1.485 -1.078 0.321 0.00 0.00 +0.008 A ATOM 20 C LIG 1 -0.997 -2.121 1.109 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -1.866 -3.105 1.579 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -3.223 -3.048 1.263 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -3.716 -2.007 0.474 0.00 0.00 +0.008 A ENDBRANCH 10 18 ENDBRANCH 1 3 BRANCH 1 24 ATOM 24 C LIG 1 -0.629 -1.783 -3.904 0.00 0.00 +0.138 C BRANCH 24 28 ATOM 25 C LIG 1 2.595 -0.256 -1.439 0.00 0.00 +0.035 A ATOM 26 C LIG 1 2.179 -1.582 -1.322 0.00 0.00 +0.023 A ATOM 27 C LIG 1 1.152 -2.080 -2.132 0.00 0.00 +0.007 A ATOM 28 C LIG 1 0.524 -1.260 -3.078 0.00 0.00 -0.030 A ATOM 29 C LIG 1 0.942 0.070 -3.196 0.00 0.00 +0.007 A ATOM 30 C LIG 1 1.969 0.565 -2.386 0.00 0.00 +0.023 A BRANCH 25 33 ATOM 31 O LIG 1 4.348 -1.468 0.610 0.00 0.00 -0.252 OA ATOM 32 C LIG 1 4.391 -0.280 0.321 0.00 0.00 +0.308 C ATOM 33 N LIG 1 3.606 0.331 -0.649 0.00 0.00 -0.269 N ATOM 34 H LIG 1 3.830 1.288 -0.867 0.00 0.00 +0.156 HD ATOM 35 N LIG 1 5.226 0.655 0.919 0.00 0.00 -0.269 N ATOM 36 H LIG 1 5.034 1.622 0.715 0.00 0.00 +0.156 HD BRANCH 35 37 ATOM 37 C LIG 1 6.224 0.424 1.889 0.00 0.00 +0.035 A ATOM 38 C LIG 1 6.855 1.549 2.438 0.00 0.00 +0.023 A ATOM 39 C LIG 1 7.859 1.409 3.400 0.00 0.00 +0.002 A ATOM 40 C LIG 1 8.246 0.140 3.820 0.00 0.00 +0.000 A ATOM 41 C LIG 1 7.631 -0.985 3.276 0.00 0.00 +0.002 A ATOM 42 C LIG 1 6.626 -0.844 2.314 0.00 0.00 +0.023 A ENDBRANCH 35 37 ENDBRANCH 25 33 ENDBRANCH 24 28 ENDBRANCH 1 24 TORSDOF 7