REMARK Name = BDB054852 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.449 1.707 1.057 0.00 0.00 +0.094 A ATOM 2 N LIG 1 1.143 1.713 2.368 0.00 0.00 -0.172 NA ATOM 3 N LIG 1 -0.152 1.370 2.409 0.00 0.00 -0.263 N ATOM 4 H LIG 1 -0.592 1.302 3.319 0.00 0.00 +0.190 HD ATOM 5 C LIG 1 -0.719 1.163 1.183 0.00 0.00 +0.121 A ATOM 6 C LIG 1 0.302 1.369 0.285 0.00 0.00 +0.073 A ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 5.395 2.685 -0.328 0.00 0.00 -0.030 A ATOM 8 C LIG 1 4.978 3.052 0.957 0.00 0.00 +0.006 A ATOM 9 C LIG 1 3.694 2.727 1.404 0.00 0.00 +0.010 A ATOM 10 C LIG 1 2.798 2.030 0.580 0.00 0.00 +0.002 A ATOM 11 C LIG 1 3.225 1.651 -0.699 0.00 0.00 +0.010 A ATOM 12 C LIG 1 4.512 1.970 -1.146 0.00 0.00 +0.006 A BRANCH 7 13 ATOM 13 C LIG 1 6.785 3.012 -0.807 0.00 0.00 +0.142 C BRANCH 13 15 ATOM 14 C LIG 1 8.072 1.010 -1.403 0.00 0.00 +0.401 C ATOM 15 N LIG 1 7.701 1.947 -0.491 0.00 0.00 -0.277 N ATOM 16 H LIG 1 7.858 1.702 0.476 0.00 0.00 +0.152 HD ATOM 17 O LIG 1 7.807 1.031 -2.595 0.00 0.00 -0.226 OA BRANCH 14 18 ATOM 18 O LIG 1 8.788 0.047 -0.779 0.00 0.00 -0.444 OA BRANCH 18 19 ATOM 19 C LIG 1 9.210 -1.009 -1.656 0.00 0.00 +0.292 C BRANCH 19 24 ATOM 20 C LIG 1 12.805 -3.381 1.095 0.00 0.00 +0.089 C ATOM 21 C LIG 1 11.684 -2.917 0.261 0.00 0.00 +0.135 A ATOM 22 O LIG 1 10.869 -3.880 -0.246 0.00 0.00 -0.360 OA ATOM 23 N LIG 1 9.872 -3.291 -1.004 0.00 0.00 -0.080 NA ATOM 24 C LIG 1 10.097 -1.971 -0.940 0.00 0.00 +0.121 A ATOM 25 C LIG 1 11.238 -1.686 -0.151 0.00 0.00 +0.074 A ENDBRANCH 19 24 ENDBRANCH 18 19 ENDBRANCH 14 18 ENDBRANCH 13 15 ENDBRANCH 7 13 ENDBRANCH 1 10 BRANCH 5 26 ATOM 26 N LIG 1 -2.051 0.825 1.040 0.00 0.00 -0.267 N ATOM 27 H LIG 1 -2.627 0.752 1.868 0.00 0.00 +0.157 HD ATOM 28 C LIG 1 -2.656 0.699 -0.201 0.00 0.00 +0.249 C ATOM 29 O LIG 1 -2.134 0.882 -1.294 0.00 0.00 -0.270 OA BRANCH 28 30 ATOM 30 C LIG 1 -4.101 0.349 -0.151 0.00 0.00 +0.037 A ATOM 31 C LIG 1 -4.606 -0.572 0.768 0.00 0.00 +0.015 A ATOM 32 C LIG 1 -5.979 -0.861 0.783 0.00 0.00 +0.024 A ATOM 33 C LIG 1 -6.884 -0.256 -0.107 0.00 0.00 +0.030 A ATOM 34 C LIG 1 -6.337 0.650 -1.033 0.00 0.00 +0.024 A ATOM 35 C LIG 1 -4.968 0.948 -1.064 0.00 0.00 +0.015 A BRANCH 33 36 ATOM 36 N LIG 1 -8.236 -0.546 -0.080 0.00 0.00 -0.327 N ATOM 37 C LIG 1 -9.119 -0.242 -1.222 0.00 0.00 +0.120 C ATOM 38 C LIG 1 -10.358 -1.166 -1.219 0.00 0.00 +0.103 C ATOM 39 N LIG 1 -11.195 -1.049 -0.006 0.00 0.00 -0.302 NA ATOM 40 C LIG 1 -11.992 -2.257 0.188 0.00 0.00 +0.105 C ATOM 41 C LIG 1 -10.380 -0.726 1.183 0.00 0.00 +0.103 C ATOM 42 C LIG 1 -8.887 -1.127 1.107 0.00 0.00 +0.120 C ENDBRANCH 33 36 ENDBRANCH 28 30 ENDBRANCH 5 26 TORSDOF 9