REMARK Name = BDB025276 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.004 -0.977 1.413 0.00 0.00 -0.030 A ATOM 2 C LIG 1 -3.820 -1.664 0.498 0.00 0.00 +0.015 A ATOM 3 C LIG 1 -5.166 -1.280 0.317 0.00 0.00 +0.009 A ATOM 4 C LIG 1 -6.218 -1.758 -0.518 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -7.333 -0.969 -0.268 0.00 0.00 +0.142 A ATOM 6 N LIG 1 -7.001 -0.052 0.700 0.00 0.00 -0.313 N ATOM 7 N LIG 1 -8.538 -1.067 -0.865 0.00 0.00 -0.237 NA ATOM 8 C LIG 1 -8.611 -2.064 -1.775 0.00 0.00 +0.113 A ATOM 9 C LIG 1 -7.579 -2.926 -2.112 0.00 0.00 +0.020 A ATOM 10 C LIG 1 -6.346 -2.779 -1.477 0.00 0.00 +0.013 A ATOM 11 C LIG 1 -5.669 -0.207 1.060 0.00 0.00 +0.052 A ATOM 12 C LIG 1 -4.865 0.500 1.969 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -3.533 0.100 2.129 0.00 0.00 +0.007 A ENDROOT BRANCH 6 14 ATOM 14 C LIG 1 -7.899 0.963 1.250 0.00 0.00 +0.176 C ATOM 15 C LIG 1 -9.310 0.455 1.497 0.00 0.00 +0.242 C ATOM 16 O LIG 1 -9.581 -0.331 2.406 0.00 0.00 -0.273 OA ATOM 17 N LIG 1 -10.301 0.923 0.665 0.00 0.00 -0.255 N ATOM 18 H LIG 1 -11.221 0.536 0.822 0.00 0.00 +0.158 HD ATOM 19 C LIG 1 -10.160 1.674 -0.474 0.00 0.00 +0.219 C ATOM 20 O LIG 1 -11.121 1.899 -1.206 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 -8.771 2.172 -0.796 0.00 0.00 +0.099 C ATOM 22 C LIG 1 -7.903 2.267 0.449 0.00 0.00 +0.044 C ENDBRANCH 6 14 BRANCH 1 23 ATOM 23 C LIG 1 -1.564 -1.380 1.584 0.00 0.00 +0.141 C BRANCH 23 27 ATOM 24 N LIG 1 1.178 -0.593 -0.630 0.00 0.00 -0.297 N ATOM 25 H LIG 1 0.559 -0.441 -1.414 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 0.561 -1.229 0.418 0.00 0.00 +0.300 C ATOM 27 N LIG 1 -0.765 -0.891 0.483 0.00 0.00 -0.295 N ATOM 28 H LIG 1 -0.979 0.040 0.159 0.00 0.00 +0.151 HD ATOM 29 O LIG 1 1.118 -1.991 1.194 0.00 0.00 -0.253 OA BRANCH 24 30 ATOM 30 C LIG 1 2.556 -0.905 -0.968 0.00 0.00 +0.133 C BRANCH 30 31 ATOM 31 C LIG 1 3.570 -0.485 0.103 0.00 0.00 +0.178 C BRANCH 31 32 ATOM 32 O LIG 1 4.897 -0.490 -0.434 0.00 0.00 -0.377 OA BRANCH 32 33 ATOM 33 C LIG 1 5.290 0.762 -1.011 0.00 0.00 +0.178 C BRANCH 33 34 ATOM 34 C LIG 1 5.889 1.687 0.055 0.00 0.00 +0.135 C BRANCH 34 36 ATOM 35 C LIG 1 8.306 1.261 -0.025 0.00 0.00 +0.401 C ATOM 36 N LIG 1 7.109 1.144 0.615 0.00 0.00 -0.279 N ATOM 37 H LIG 1 7.047 0.367 1.258 0.00 0.00 +0.152 HD ATOM 38 O LIG 1 8.507 1.964 -1.002 0.00 0.00 -0.226 OA BRANCH 35 39 ATOM 39 O LIG 1 9.207 0.462 0.589 0.00 0.00 -0.445 OA BRANCH 39 41 ATOM 40 C LIG 1 10.621 -0.196 -1.317 0.00 0.00 +0.055 C ATOM 41 C LIG 1 10.571 0.374 0.104 0.00 0.00 +0.107 C ATOM 42 C LIG 1 11.260 -0.617 1.055 0.00 0.00 +0.055 C ATOM 43 C LIG 1 11.287 1.726 0.204 0.00 0.00 +0.055 C ENDBRANCH 39 41 ENDBRANCH 35 39 ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 24 30 ENDBRANCH 23 27 ENDBRANCH 1 23 TORSDOF 11