REMARK Name = BDB064659 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.233 0.950 -0.893 0.00 0.00 +0.234 C ATOM 2 N LIG 1 1.173 1.867 -0.488 0.00 0.00 -0.302 N ATOM 3 H LIG 1 1.329 2.050 0.500 0.00 0.00 +0.150 HD ATOM 4 O LIG 1 -0.009 0.733 -2.079 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 -2.785 0.302 -0.396 0.00 0.00 +0.241 C ATOM 6 N LIG 1 -1.665 -0.469 -0.152 0.00 0.00 -0.286 N ATOM 7 C LIG 1 -0.413 0.166 0.265 0.00 0.00 +0.164 C ATOM 8 C LIG 1 0.513 -0.990 0.672 0.00 0.00 +0.065 C ATOM 9 C LIG 1 -0.445 -2.136 0.963 0.00 0.00 +0.134 C ATOM 10 C LIG 1 -1.565 -1.919 -0.054 0.00 0.00 +0.140 C ATOM 11 O LIG 1 -2.732 1.528 -0.262 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 O LIG 1 -0.930 -1.994 2.299 0.00 0.00 -0.390 OA ATOM 13 H LIG 1 -1.661 -2.626 2.421 0.00 0.00 +0.210 HD ENDBRANCH 9 12 BRANCH 5 14 ATOM 14 C LIG 1 -4.074 -0.413 -0.820 0.00 0.00 +0.200 C BRANCH 14 19 ATOM 15 C LIG 1 -6.038 -1.748 3.646 0.00 0.00 +0.069 C ATOM 16 C LIG 1 -5.569 -1.618 2.251 0.00 0.00 +0.083 A ATOM 17 C LIG 1 -4.919 -0.566 1.632 0.00 0.00 +0.060 A ATOM 18 C LIG 1 -4.471 0.733 2.186 0.00 0.00 +0.067 C ATOM 19 N LIG 1 -4.745 -1.005 0.338 0.00 0.00 -0.236 N ATOM 20 N LIG 1 -5.223 -2.265 0.204 0.00 0.00 -0.064 NA ATOM 21 N LIG 1 -5.738 -2.639 1.362 0.00 0.00 -0.134 NA ENDBRANCH 14 19 BRANCH 14 22 ATOM 22 C LIG 1 -5.024 0.406 -1.770 0.00 0.00 -0.007 C ATOM 23 C LIG 1 -6.134 -0.518 -2.330 0.00 0.00 +0.013 C ATOM 24 C LIG 1 -5.719 1.598 -1.090 0.00 0.00 +0.013 C ATOM 25 C LIG 1 -4.224 0.928 -2.986 0.00 0.00 +0.013 C ENDBRANCH 14 22 ENDBRANCH 5 14 ENDBRANCH 1 7 BRANCH 2 26 ATOM 26 C LIG 1 1.875 2.736 -1.425 0.00 0.00 +0.163 C BRANCH 26 27 ATOM 27 C LIG 1 2.427 3.939 -0.641 0.00 0.00 +0.231 C ATOM 28 O LIG 1 2.446 3.994 0.587 0.00 0.00 -0.274 OA ATOM 29 N LIG 1 2.917 4.975 -1.385 0.00 0.00 -0.328 N ATOM 30 H LIG 1 3.176 5.805 -0.864 0.00 0.00 +0.145 HD ATOM 31 H LIG 1 2.638 5.108 -2.348 0.00 0.00 +0.145 HD ENDBRANCH 26 27 BRANCH 26 32 ATOM 32 C LIG 1 2.966 2.018 -2.241 0.00 0.00 +0.067 C BRANCH 32 33 ATOM 33 C LIG 1 3.924 1.173 -1.429 0.00 0.00 -0.045 A ATOM 34 C LIG 1 3.785 -0.220 -1.410 0.00 0.00 +0.004 A ATOM 35 C LIG 1 4.650 -1.012 -0.649 0.00 0.00 +0.009 A ATOM 36 C LIG 1 5.679 -0.436 0.110 0.00 0.00 -0.018 A ATOM 37 C LIG 1 5.816 0.960 0.077 0.00 0.00 +0.009 A ATOM 38 C LIG 1 4.952 1.756 -0.683 0.00 0.00 +0.004 A BRANCH 36 39 ATOM 39 C LIG 1 6.586 -1.269 0.915 0.00 0.00 -0.018 A ATOM 40 C LIG 1 6.085 -2.170 1.870 0.00 0.00 +0.008 A ATOM 41 C LIG 1 6.946 -2.962 2.635 0.00 0.00 +0.001 A ATOM 42 C LIG 1 8.324 -2.867 2.457 0.00 0.00 +0.000 A ATOM 43 C LIG 1 8.841 -1.980 1.516 0.00 0.00 +0.001 A ATOM 44 C LIG 1 7.979 -1.188 0.752 0.00 0.00 +0.008 A ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 26 32 ENDBRANCH 2 26 TORSDOF 10