REMARK Name = BDB050633 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.886 -0.827 -1.183 0.00 0.00 +0.282 C ATOM 2 N LIG 1 -0.245 -1.460 -0.621 0.00 0.00 -0.291 N ATOM 3 O LIG 1 0.744 0.208 -1.838 0.00 0.00 -0.267 OA ENDROOT BRANCH 1 12 ATOM 4 N LIG 1 3.413 -0.675 -1.002 0.00 0.00 -0.320 N ATOM 5 C LIG 1 4.457 -1.559 -0.826 0.00 0.00 +0.069 A ATOM 6 C LIG 1 3.838 -2.797 -0.717 0.00 0.00 +0.090 A ATOM 7 C LIG 1 4.616 -3.949 -0.526 0.00 0.00 +0.030 A ATOM 8 C LIG 1 6.007 -3.818 -0.449 0.00 0.00 +0.002 A ATOM 9 C LIG 1 6.610 -2.565 -0.559 0.00 0.00 +0.002 A ATOM 10 N LIG 1 2.480 -2.678 -0.818 0.00 0.00 -0.223 NA ATOM 11 C LIG 1 5.848 -1.406 -0.750 0.00 0.00 +0.028 A ATOM 12 C LIG 1 2.225 -1.389 -0.983 0.00 0.00 +0.198 A BRANCH 4 13 ATOM 13 C LIG 1 3.552 0.762 -1.156 0.00 0.00 +0.124 C BRANCH 13 14 ATOM 14 C LIG 1 3.146 1.567 0.082 0.00 0.00 +0.024 C BRANCH 14 15 ATOM 15 C LIG 1 4.035 1.281 1.298 0.00 0.00 +0.030 C BRANCH 15 16 ATOM 16 C LIG 1 3.678 2.165 2.493 0.00 0.00 +0.159 C BRANCH 16 18 ATOM 17 C LIG 1 5.161 4.012 2.281 0.00 0.00 +0.193 C ATOM 18 O LIG 1 3.819 3.553 2.199 0.00 0.00 -0.383 OA ENDBRANCH 16 18 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 4 13 ENDBRANCH 1 12 BRANCH 2 19 ATOM 19 C LIG 1 -1.585 -0.880 -0.856 0.00 0.00 +0.091 C ATOM 20 C LIG 1 -1.783 0.483 -0.173 0.00 0.00 +0.037 C ATOM 21 C LIG 1 -3.215 0.994 -0.414 0.00 0.00 +0.091 C ATOM 22 C LIG 1 -3.511 1.013 -1.921 0.00 0.00 +0.093 C ATOM 23 N LIG 1 -3.372 -0.319 -2.529 0.00 0.00 -0.313 NA ATOM 24 H LIG 1 -4.024 -0.969 -2.093 0.00 0.00 +0.122 HD ATOM 25 C LIG 1 -1.997 -0.819 -2.349 0.00 0.00 +0.103 C BRANCH 21 26 ATOM 26 C LIG 1 -3.408 2.396 0.160 0.00 0.00 +0.220 C ATOM 27 N LIG 1 -4.698 2.791 0.487 0.00 0.00 -0.297 N ATOM 28 C LIG 1 -4.909 4.131 1.046 0.00 0.00 +0.136 C ATOM 29 C LIG 1 -5.990 4.110 2.131 0.00 0.00 +0.179 C ATOM 30 O LIG 1 -7.258 3.608 1.683 0.00 0.00 -0.377 OA ATOM 31 C LIG 1 -7.174 2.747 0.541 0.00 0.00 +0.179 C ATOM 32 C LIG 1 -5.883 1.925 0.497 0.00 0.00 +0.136 C ATOM 33 O LIG 1 -2.451 3.159 0.298 0.00 0.00 -0.275 OA ENDBRANCH 21 26 ENDBRANCH 2 19 BRANCH 2 34 ATOM 34 C LIG 1 -0.175 -2.540 0.376 0.00 0.00 +0.111 C BRANCH 34 35 ATOM 35 C LIG 1 -0.786 -3.874 -0.104 0.00 0.00 +0.000 C ATOM 36 C LIG 1 -0.810 -4.879 1.050 0.00 0.00 +0.009 C ATOM 37 C LIG 1 -0.048 -4.475 -1.299 0.00 0.00 +0.009 C ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 10