REMARK Name = BDB056929 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.044 4.763 -1.529 0.00 0.00 +0.217 A ATOM 2 N LIG 1 0.699 3.811 -2.206 0.00 0.00 -0.195 NA ATOM 3 C LIG 1 0.270 2.572 -1.925 0.00 0.00 +0.164 A ATOM 4 C LIG 1 -0.742 2.221 -1.055 0.00 0.00 +0.065 A ATOM 5 C LIG 1 -0.825 0.799 -1.121 0.00 0.00 +0.105 A ATOM 6 N LIG 1 0.115 0.304 -1.950 0.00 0.00 -0.168 NA ATOM 7 C LIG 1 -1.348 3.276 -0.388 0.00 0.00 +0.128 A ATOM 8 N LIG 1 0.752 1.400 -2.430 0.00 0.00 -0.240 N ATOM 9 N LIG 1 -0.943 4.544 -0.637 0.00 0.00 -0.222 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -1.736 -0.101 -0.418 0.00 0.00 +0.021 A ATOM 11 C LIG 1 -1.342 -1.387 -0.075 0.00 0.00 +0.123 A ATOM 12 N LIG 1 -2.110 -2.274 0.608 0.00 0.00 -0.240 NA ATOM 13 C LIG 1 -3.364 -1.915 0.955 0.00 0.00 +0.121 A ATOM 14 C LIG 1 -3.838 -0.642 0.635 0.00 0.00 +0.044 A ATOM 15 C LIG 1 -3.028 0.265 -0.057 0.00 0.00 +0.015 A BRANCH 13 16 ATOM 16 N LIG 1 -4.149 -2.813 1.667 0.00 0.00 -0.313 N ATOM 17 C LIG 1 -5.583 -2.921 1.351 0.00 0.00 +0.121 C ATOM 18 C LIG 1 -6.022 -4.394 1.177 0.00 0.00 +0.100 C ATOM 19 N LIG 1 -5.719 -5.276 2.318 0.00 0.00 -0.313 NA ATOM 20 H LIG 1 -5.659 -6.235 1.979 0.00 0.00 +0.122 HD ATOM 21 C LIG 1 -4.444 -4.901 2.961 0.00 0.00 +0.100 C ATOM 22 C LIG 1 -3.485 -4.055 2.093 0.00 0.00 +0.121 C ENDBRANCH 13 16 ENDBRANCH 5 10 BRANCH 1 24 ATOM 23 C LIG 1 0.391 6.961 -0.672 0.00 0.00 +0.128 C ATOM 24 N LIG 1 0.453 6.062 -1.802 0.00 0.00 -0.316 N ATOM 25 H LIG 1 1.365 5.982 -2.240 0.00 0.00 +0.149 HD ENDBRANCH 1 24 BRANCH 8 26 ATOM 26 C LIG 1 1.842 1.258 -3.382 0.00 0.00 +0.204 C BRANCH 26 27 ATOM 27 C LIG 1 3.147 1.206 -2.680 0.00 0.00 +0.105 A ATOM 28 N LIG 1 4.139 2.095 -2.973 0.00 0.00 -0.132 NA ATOM 29 N LIG 1 5.191 1.802 -2.223 0.00 0.00 -0.060 NA ATOM 30 N LIG 1 4.877 0.764 -1.404 0.00 0.00 -0.218 N ATOM 31 C LIG 1 3.611 0.328 -1.723 0.00 0.00 +0.141 A BRANCH 30 32 ATOM 32 C LIG 1 5.802 0.235 -0.450 0.00 0.00 +0.088 A ATOM 33 C LIG 1 5.544 -0.681 0.559 0.00 0.00 +0.122 A ATOM 34 S LIG 1 6.995 -1.157 1.356 0.00 0.00 -0.088 S ATOM 35 C LIG 1 7.937 -0.052 0.464 0.00 0.00 +0.048 A ATOM 36 C LIG 1 7.183 0.633 -0.460 0.00 0.00 +0.036 A BRANCH 33 37 ATOM 37 C LIG 1 4.313 -1.250 1.064 0.00 0.00 +0.348 C ATOM 38 O LIG 1 4.129 -2.421 1.369 0.00 0.00 -0.244 OA BRANCH 37 39 ATOM 39 O LIG 1 3.381 -0.263 1.199 0.00 0.00 -0.464 OA ATOM 40 C LIG 1 2.138 -0.705 1.748 0.00 0.00 +0.280 C ENDBRANCH 37 39 ENDBRANCH 33 37 ENDBRANCH 30 32 ENDBRANCH 26 27 ENDBRANCH 8 26 TORSDOF 8