REMARK Name = BDB037675 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.568 2.085 -1.316 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -0.473 1.165 -1.093 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.509 -0.104 -1.652 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -1.796 -0.619 -1.369 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.466 0.219 -0.564 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 0.641 -0.681 -2.427 0.00 0.00 +0.057 C ATOM 7 C LIG 1 1.923 0.076 -1.996 0.00 0.00 +0.167 C ATOM 8 N LIG 1 -1.627 1.260 -0.341 0.00 0.00 -0.246 N ATOM 9 C LIG 1 1.667 1.595 -2.070 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.413 2.331 -2.719 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -2.389 -1.884 -1.827 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -2.876 -2.744 -0.848 0.00 0.00 -0.277 N ATOM 13 C LIG 1 -3.479 -4.004 -1.179 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -3.971 -4.653 0.079 0.00 0.00 +0.014 C ATOM 15 C LIG 1 -3.644 -3.737 1.227 0.00 0.00 +0.043 C ATOM 16 C LIG 1 -4.947 -4.254 -0.994 0.00 0.00 +0.028 C ATOM 17 C LIG 1 -2.937 -2.498 0.612 0.00 0.00 +0.180 C ATOM 18 O LIG 1 -2.415 -2.175 -3.023 0.00 0.00 -0.268 OA BRANCH 17 19 ATOM 19 C LIG 1 -1.600 -2.310 1.212 0.00 0.00 +0.085 C ATOM 20 N LIG 1 -0.543 -2.130 1.661 0.00 0.00 -0.195 NA ENDBRANCH 17 19 ENDBRANCH 4 11 BRANCH 8 21 ATOM 21 C LIG 1 -2.012 2.127 0.768 0.00 0.00 +0.114 C ATOM 22 C LIG 1 -2.813 3.358 0.328 0.00 0.00 +0.055 C ATOM 23 C LIG 1 -2.601 4.518 1.290 0.00 0.00 +0.162 C ATOM 24 O LIG 1 -2.597 4.024 2.624 0.00 0.00 -0.380 OA ATOM 25 C LIG 1 -1.441 3.248 2.943 0.00 0.00 +0.162 C ATOM 26 C LIG 1 -0.898 2.445 1.764 0.00 0.00 +0.055 C ENDBRANCH 8 21 BRANCH 7 27 ATOM 27 N LIG 1 2.349 -0.251 -0.624 0.00 0.00 -0.299 N ATOM 28 H LIG 1 1.645 -0.214 0.099 0.00 0.00 +0.150 HD ATOM 29 C LIG 1 3.671 -0.171 -0.251 0.00 0.00 +0.245 C ATOM 30 O LIG 1 4.575 0.035 -1.053 0.00 0.00 -0.270 OA BRANCH 29 31 ATOM 31 C LIG 1 3.935 -0.308 1.185 0.00 0.00 +0.044 A ATOM 32 C LIG 1 5.185 0.046 1.804 0.00 0.00 +0.024 A ATOM 33 C LIG 1 5.201 -0.163 3.167 0.00 0.00 -0.013 A ATOM 34 C LIG 1 6.308 0.092 4.131 0.00 0.00 +0.051 C ATOM 35 S LIG 1 3.716 -0.801 3.717 0.00 0.00 -0.101 S ATOM 36 C LIG 1 3.062 -0.807 2.136 0.00 0.00 +0.058 A ENDBRANCH 29 31 ENDBRANCH 7 27 BRANCH 6 37 ATOM 37 C LIG 1 0.851 -2.177 -2.262 0.00 0.00 -0.001 C ATOM 38 C LIG 1 1.863 -2.896 -3.126 0.00 0.00 +0.004 C ATOM 39 C LIG 1 0.401 -3.155 -3.321 0.00 0.00 +0.004 C ENDBRANCH 6 37 BRANCH 1 41 ATOM 40 C LIG 1 1.564 4.253 -0.559 0.00 0.00 +0.025 C ATOM 41 C LIG 1 0.429 3.540 -1.290 0.00 0.00 +0.112 C ENDBRANCH 1 41 TORSDOF 7