REMARK Name = BDB054870 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.710 1.224 -1.137 0.00 0.00 +0.121 A ATOM 2 N LIG 1 -0.202 2.088 -2.065 0.00 0.00 -0.263 N ATOM 3 H LIG 1 -0.665 2.872 -2.505 0.00 0.00 +0.190 HD ATOM 4 N LIG 1 1.070 1.844 -2.407 0.00 0.00 -0.172 NA ATOM 5 C LIG 1 1.409 0.761 -1.687 0.00 0.00 +0.094 A ATOM 6 C LIG 1 0.318 0.349 -0.869 0.00 0.00 +0.073 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 2.739 0.153 -1.790 0.00 0.00 +0.002 A ATOM 8 C LIG 1 2.944 -1.193 -1.461 0.00 0.00 +0.010 A ATOM 9 C LIG 1 4.216 -1.769 -1.566 0.00 0.00 +0.006 A ATOM 10 C LIG 1 5.307 -1.008 -2.004 0.00 0.00 -0.030 A ATOM 11 C LIG 1 5.106 0.340 -2.325 0.00 0.00 +0.006 A ATOM 12 C LIG 1 3.834 0.911 -2.228 0.00 0.00 +0.010 A BRANCH 10 13 ATOM 13 C LIG 1 6.686 -1.610 -2.085 0.00 0.00 +0.142 C BRANCH 13 14 ATOM 14 N LIG 1 7.419 -1.366 -0.871 0.00 0.00 -0.277 N ATOM 15 H LIG 1 7.117 -1.796 -0.009 0.00 0.00 +0.152 HD ATOM 16 C LIG 1 8.319 -0.353 -0.745 0.00 0.00 +0.401 C ATOM 17 O LIG 1 8.707 0.366 -1.654 0.00 0.00 -0.226 OA BRANCH 16 18 ATOM 18 O LIG 1 8.700 -0.269 0.551 0.00 0.00 -0.446 OA BRANCH 18 19 ATOM 19 C LIG 1 9.648 0.762 0.849 0.00 0.00 +0.269 C BRANCH 19 20 ATOM 20 C LIG 1 11.049 0.209 0.799 0.00 0.00 -0.010 A ATOM 21 C LIG 1 11.469 -0.753 1.730 0.00 0.00 +0.007 A ATOM 22 C LIG 1 12.770 -1.257 1.687 0.00 0.00 +0.000 A ATOM 23 C LIG 1 13.661 -0.808 0.713 0.00 0.00 +0.000 A ATOM 24 C LIG 1 13.250 0.138 -0.227 0.00 0.00 +0.000 A ATOM 25 C LIG 1 11.949 0.641 -0.188 0.00 0.00 +0.007 A ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 16 18 ENDBRANCH 13 14 ENDBRANCH 10 13 ENDBRANCH 5 7 BRANCH 1 27 ATOM 26 C LIG 1 -2.505 0.515 0.336 0.00 0.00 +0.249 C ATOM 27 N LIG 1 -2.004 1.333 -0.665 0.00 0.00 -0.267 N ATOM 28 H LIG 1 -2.585 2.087 -1.013 0.00 0.00 +0.157 HD ATOM 29 O LIG 1 -1.886 -0.341 0.959 0.00 0.00 -0.270 OA BRANCH 26 33 ATOM 30 C LIG 1 -6.602 1.219 1.434 0.00 0.00 -0.033 A ATOM 31 C LIG 1 -5.643 0.890 2.402 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -4.316 0.658 2.031 0.00 0.00 +0.013 A ATOM 33 C LIG 1 -3.930 0.764 0.691 0.00 0.00 +0.037 A ATOM 34 C LIG 1 -4.885 1.075 -0.284 0.00 0.00 +0.013 A ATOM 35 C LIG 1 -6.211 1.305 0.089 0.00 0.00 +0.005 A BRANCH 30 36 ATOM 36 C LIG 1 -8.045 1.468 1.824 0.00 0.00 +0.119 C BRANCH 36 41 ATOM 37 C LIG 1 -10.379 -1.737 -0.753 0.00 0.00 +0.105 C ATOM 38 N LIG 1 -10.969 -1.454 0.558 0.00 0.00 -0.303 NA ATOM 39 C LIG 1 -10.023 -1.786 1.638 0.00 0.00 +0.099 C ATOM 40 C LIG 1 -8.774 -0.867 1.740 0.00 0.00 +0.100 C ATOM 41 N LIG 1 -8.972 0.504 1.219 0.00 0.00 -0.296 NA ATOM 42 C LIG 1 -10.372 0.912 1.395 0.00 0.00 +0.100 C ATOM 43 C LIG 1 -11.365 -0.033 0.662 0.00 0.00 +0.099 C ENDBRANCH 36 41 ENDBRANCH 30 36 ENDBRANCH 26 33 ENDBRANCH 1 27 TORSDOF 10