REMARK Name = BDB056864 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.388 -0.333 -0.454 0.00 0.00 +0.073 A ATOM 2 N LIG 1 2.339 -0.520 0.377 0.00 0.00 -0.254 NA ATOM 3 C LIG 1 1.090 -0.345 -0.124 0.00 0.00 +0.120 A ATOM 4 C LIG 1 0.790 0.036 -1.440 0.00 0.00 +0.009 A ATOM 5 C LIG 1 1.901 0.239 -2.284 0.00 0.00 -0.014 A ATOM 6 C LIG 1 1.698 0.633 -3.617 0.00 0.00 +0.008 A ATOM 7 C LIG 1 0.412 0.823 -4.120 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -0.692 0.626 -3.295 0.00 0.00 +0.011 A ATOM 9 C LIG 1 -0.519 0.239 -1.958 0.00 0.00 +0.012 A ATOM 10 C LIG 1 3.199 0.051 -1.780 0.00 0.00 +0.037 A ENDROOT BRANCH 9 11 ATOM 11 C LIG 1 -1.710 0.064 -1.130 0.00 0.00 +0.098 A ATOM 12 C LIG 1 -2.680 1.035 -0.779 0.00 0.00 +0.018 A ATOM 13 C LIG 1 -2.765 2.482 -1.115 0.00 0.00 +0.146 C ATOM 14 N LIG 1 -4.032 3.055 -0.626 0.00 0.00 -0.297 N ATOM 15 C LIG 1 -4.565 2.533 0.652 0.00 0.00 +0.114 C ATOM 16 C LIG 1 -4.776 1.004 0.629 0.00 0.00 +0.074 C ATOM 17 C LIG 1 -4.391 4.284 -1.165 0.00 0.00 +0.213 C ATOM 18 O LIG 1 -3.748 4.824 -2.066 0.00 0.00 -0.276 OA ATOM 19 C LIG 1 -5.627 4.950 -0.616 0.00 0.00 +0.109 C ATOM 20 C LIG 1 -3.582 0.366 0.024 0.00 0.00 +0.046 A ATOM 21 N LIG 1 -3.153 -0.927 0.103 0.00 0.00 -0.264 N ATOM 22 N LIG 1 -2.004 -1.123 -0.580 0.00 0.00 -0.170 NA BRANCH 21 23 ATOM 23 C LIG 1 -3.714 -2.065 0.820 0.00 0.00 +0.112 C ATOM 24 C LIG 1 -5.177 -2.355 0.473 0.00 0.00 +0.055 C ATOM 25 C LIG 1 -5.668 -3.549 1.278 0.00 0.00 +0.162 C ATOM 26 O LIG 1 -5.486 -3.308 2.673 0.00 0.00 -0.380 OA ATOM 27 C LIG 1 -4.110 -3.170 3.026 0.00 0.00 +0.162 C ATOM 28 C LIG 1 -3.504 -1.959 2.333 0.00 0.00 +0.055 C ENDBRANCH 21 23 ENDBRANCH 9 11 BRANCH 1 32 ATOM 29 C LIG 1 7.168 -0.924 1.400 0.00 0.00 +0.125 A ATOM 30 N LIG 1 6.112 -0.554 2.160 0.00 0.00 -0.250 NA ATOM 31 C LIG 1 4.926 -0.389 1.519 0.00 0.00 +0.121 A ATOM 32 C LIG 1 4.718 -0.550 0.146 0.00 0.00 +0.018 A ATOM 33 C LIG 1 5.844 -0.942 -0.596 0.00 0.00 +0.014 A ATOM 34 C LIG 1 7.080 -1.131 0.029 0.00 0.00 +0.033 A BRANCH 29 38 ATOM 35 C LIG 1 10.877 -0.629 2.103 0.00 0.00 +0.128 C ATOM 36 N LIG 1 9.594 -0.632 1.445 0.00 0.00 -0.313 N ATOM 37 H LIG 1 9.450 0.029 0.693 0.00 0.00 +0.149 HD ATOM 38 C LIG 1 8.474 -1.109 2.114 0.00 0.00 +0.262 C ATOM 39 O LIG 1 8.531 -1.636 3.219 0.00 0.00 -0.269 OA ENDBRANCH 29 38 ENDBRANCH 1 32 TORSDOF 4