REMARK Name = BDB052341 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.678 0.992 1.505 0.00 0.00 +0.100 A ATOM 2 C LIG 1 -1.987 0.259 2.696 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -2.811 1.088 3.429 0.00 0.00 +0.117 A ATOM 4 N LIG 1 -2.971 2.211 2.681 0.00 0.00 -0.268 N ATOM 5 N LIG 1 -2.307 2.182 1.512 0.00 0.00 -0.171 NA ENDROOT BRANCH 2 6 ATOM 6 C LIG 1 -1.622 -1.066 3.144 0.00 0.00 -0.002 A ATOM 7 C LIG 1 -1.947 -2.192 2.362 0.00 0.00 +0.026 A ATOM 8 C LIG 1 -1.552 -3.430 2.858 0.00 0.00 +0.139 A ATOM 9 N LIG 1 -1.942 -4.392 1.967 0.00 0.00 -0.346 N ATOM 10 H LIG 1 -1.764 -5.377 2.096 0.00 0.00 +0.167 HD ATOM 11 C LIG 1 -2.593 -3.810 0.910 0.00 0.00 +0.085 A ATOM 12 N LIG 1 -0.899 -3.686 4.007 0.00 0.00 -0.237 NA ATOM 13 C LIG 1 -0.621 -2.571 4.717 0.00 0.00 +0.114 A ATOM 14 C LIG 1 -2.614 -2.448 1.128 0.00 0.00 +0.029 A ATOM 15 C LIG 1 -0.948 -1.273 4.351 0.00 0.00 +0.029 A ENDBRANCH 2 6 BRANCH 1 19 ATOM 16 C LIG 1 0.814 -0.084 -1.825 0.00 0.00 +0.035 A ATOM 17 C LIG 1 1.153 -0.484 -0.532 0.00 0.00 +0.024 A ATOM 18 C LIG 1 0.347 -0.131 0.559 0.00 0.00 +0.012 A ATOM 19 C LIG 1 -0.821 0.617 0.376 0.00 0.00 +0.003 A ATOM 20 C LIG 1 -1.157 1.020 -0.922 0.00 0.00 +0.012 A ATOM 21 C LIG 1 -0.351 0.669 -2.011 0.00 0.00 +0.024 A BRANCH 16 24 ATOM 22 O LIG 1 3.514 -1.262 -2.055 0.00 0.00 -0.252 OA ATOM 23 C LIG 1 2.818 -1.003 -3.027 0.00 0.00 +0.308 C ATOM 24 N LIG 1 1.565 -0.405 -2.974 0.00 0.00 -0.269 N ATOM 25 H LIG 1 1.221 -0.028 -3.843 0.00 0.00 +0.156 HD ATOM 26 N LIG 1 3.162 -1.262 -4.347 0.00 0.00 -0.269 N ATOM 27 H LIG 1 2.407 -1.229 -5.014 0.00 0.00 +0.156 HD BRANCH 26 28 ATOM 28 C LIG 1 4.389 -1.760 -4.834 0.00 0.00 +0.035 A ATOM 29 C LIG 1 4.448 -2.103 -6.192 0.00 0.00 +0.023 A ATOM 30 C LIG 1 5.629 -2.594 -6.754 0.00 0.00 +0.002 A ATOM 31 C LIG 1 6.766 -2.741 -5.965 0.00 0.00 +0.000 A ATOM 32 C LIG 1 6.720 -2.396 -4.617 0.00 0.00 +0.002 A ATOM 33 C LIG 1 5.538 -1.905 -4.054 0.00 0.00 +0.023 A ENDBRANCH 26 28 ENDBRANCH 16 24 ENDBRANCH 1 19 BRANCH 4 34 ATOM 34 C LIG 1 -3.762 3.384 3.019 0.00 0.00 +0.177 C BRANCH 34 35 ATOM 35 C LIG 1 -2.923 4.661 2.968 0.00 0.00 +0.161 C BRANCH 35 36 ATOM 36 O LIG 1 -2.598 5.014 1.610 0.00 0.00 -0.388 OA ATOM 37 H LIG 1 -2.227 4.196 1.204 0.00 0.00 +0.210 HD ENDBRANCH 35 36 BRANCH 35 38 ATOM 38 C LIG 1 -3.692 5.841 3.563 0.00 0.00 +0.189 C BRANCH 38 39 ATOM 39 O LIG 1 -2.883 7.014 3.496 0.00 0.00 -0.392 OA ATOM 40 H LIG 1 -2.509 7.010 2.591 0.00 0.00 +0.210 HD ENDBRANCH 38 39 ENDBRANCH 35 38 ENDBRANCH 34 35 ENDBRANCH 4 34 TORSDOF 9