REMARK Name = BDB037813 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.739 -2.540 -0.246 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -1.438 -1.405 0.194 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.895 -0.131 0.213 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -1.937 0.752 0.601 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -3.058 0.048 0.826 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 0.524 0.135 -0.183 0.00 0.00 +0.057 C ATOM 7 C LIG 1 1.319 -1.142 0.189 0.00 0.00 +0.167 C ATOM 8 N LIG 1 -2.717 -1.255 0.680 0.00 0.00 -0.246 N ATOM 9 C LIG 1 0.653 -2.386 -0.450 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.336 -3.213 -1.067 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -1.846 2.219 0.773 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -3.006 2.983 0.707 0.00 0.00 -0.277 N ATOM 13 C LIG 1 -4.332 2.562 0.360 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -5.125 3.785 -0.022 0.00 0.00 +0.014 C ATOM 15 C LIG 1 -4.199 4.970 0.091 0.00 0.00 +0.043 C ATOM 16 C LIG 1 -4.885 2.691 -1.027 0.00 0.00 +0.028 C ATOM 17 C LIG 1 -2.948 4.447 0.840 0.00 0.00 +0.180 C ATOM 18 O LIG 1 -0.759 2.772 0.952 0.00 0.00 -0.268 OA BRANCH 17 19 ATOM 19 C LIG 1 -2.978 4.857 2.259 0.00 0.00 +0.085 C ATOM 20 N LIG 1 -3.029 5.202 3.368 0.00 0.00 -0.195 NA ENDBRANCH 17 19 ENDBRANCH 4 11 BRANCH 8 21 ATOM 21 C LIG 1 -3.672 -2.205 1.242 0.00 0.00 +0.114 C ATOM 22 C LIG 1 -4.623 -2.792 0.196 0.00 0.00 +0.055 C ATOM 23 C LIG 1 -5.548 -3.816 0.831 0.00 0.00 +0.162 C ATOM 24 O LIG 1 -4.793 -4.784 1.556 0.00 0.00 -0.380 OA ATOM 25 C LIG 1 -4.123 -4.212 2.677 0.00 0.00 +0.162 C ATOM 26 C LIG 1 -3.064 -3.227 2.210 0.00 0.00 +0.055 C ENDBRANCH 8 21 BRANCH 7 27 ATOM 27 N LIG 1 2.729 -1.101 -0.190 0.00 0.00 -0.299 N ATOM 28 H LIG 1 2.993 -1.613 -1.025 0.00 0.00 +0.150 HD ATOM 29 C LIG 1 3.657 -0.397 0.537 0.00 0.00 +0.245 C ATOM 30 O LIG 1 3.369 0.261 1.528 0.00 0.00 -0.270 OA BRANCH 29 31 ATOM 31 C LIG 1 5.059 -0.472 0.037 0.00 0.00 +0.043 A ATOM 32 C LIG 1 5.884 0.671 0.007 0.00 0.00 +0.006 A ATOM 33 C LIG 1 5.391 2.022 0.455 0.00 0.00 +0.043 C ATOM 34 C LIG 1 6.315 3.133 -0.021 0.00 0.00 +0.046 C ATOM 35 C LIG 1 7.749 2.718 0.243 0.00 0.00 +0.229 C ATOM 36 O LIG 1 8.106 1.559 -0.515 0.00 0.00 -0.492 OA ATOM 37 C LIG 1 7.206 0.527 -0.442 0.00 0.00 +0.124 A ATOM 38 C LIG 1 7.683 -0.708 -0.886 0.00 0.00 +0.046 A ATOM 39 C LIG 1 6.862 -1.831 -0.856 0.00 0.00 +0.004 A ATOM 40 C LIG 1 5.555 -1.717 -0.388 0.00 0.00 +0.013 A ENDBRANCH 29 31 ENDBRANCH 7 27 BRANCH 6 41 ATOM 41 C LIG 1 0.651 0.471 -1.665 0.00 0.00 -0.001 C ATOM 42 C LIG 1 1.804 1.300 -2.174 0.00 0.00 +0.004 C ATOM 43 C LIG 1 0.419 1.878 -2.161 0.00 0.00 +0.004 C ENDBRANCH 6 41 BRANCH 1 45 ATOM 44 C LIG 1 -1.719 -3.486 -2.310 0.00 0.00 +0.025 C ATOM 45 C LIG 1 -1.339 -3.724 -0.855 0.00 0.00 +0.112 C ENDBRANCH 1 45 TORSDOF 7