REMARK Name = BDB000070 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.309 -0.665 0.338 0.00 0.00 -0.313 N ATOM 2 H LIG 1 0.122 0.165 -0.084 0.00 0.00 +0.152 HD ENDROOT BRANCH 1 4 ATOM 3 C LIG 1 -2.454 0.162 -0.504 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -1.613 -0.918 -0.145 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -2.111 -2.230 -0.243 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -3.417 -2.501 -0.680 0.00 0.00 +0.041 A ATOM 7 N LIG 1 -3.917 -3.833 -0.802 0.00 0.00 -0.274 N ATOM 8 C LIG 1 -5.268 -4.098 -1.023 0.00 0.00 +0.220 C ATOM 9 C LIG 1 -6.204 -2.917 -0.922 0.00 0.00 +0.101 C ATOM 10 C LIG 1 -5.612 -1.692 -1.583 0.00 0.00 +0.046 C ATOM 11 O LIG 1 -5.722 -5.229 -1.202 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -3.002 -4.960 -0.703 0.00 0.00 +0.138 C ATOM 13 C LIG 1 -4.241 -1.427 -1.032 0.00 0.00 -0.025 A ATOM 14 C LIG 1 -3.757 -0.115 -0.956 0.00 0.00 +0.015 A BRANCH 3 21 ATOM 15 C LIG 1 -1.201 4.492 -2.676 0.00 0.00 +0.065 C ATOM 16 C LIG 1 -1.412 3.655 -1.451 0.00 0.00 +0.039 A ATOM 17 N LIG 1 -1.174 4.238 -0.254 0.00 0.00 -0.257 NA ATOM 18 C LIG 1 -1.348 3.493 0.862 0.00 0.00 +0.039 A ATOM 19 C LIG 1 -1.064 4.151 2.179 0.00 0.00 +0.065 C ATOM 20 C LIG 1 -1.768 2.168 0.820 0.00 0.00 +0.031 A ATOM 21 C LIG 1 -2.016 1.566 -0.417 0.00 0.00 -0.013 A ATOM 22 C LIG 1 -1.832 2.334 -1.571 0.00 0.00 +0.031 A ENDBRANCH 3 21 ENDBRANCH 1 4 BRANCH 1 23 ATOM 23 C LIG 1 0.525 -1.332 1.244 0.00 0.00 +0.044 A ATOM 24 C LIG 1 1.893 -1.091 1.258 0.00 0.00 +0.071 A ATOM 25 C LIG 1 2.690 -0.156 0.464 0.00 0.00 +0.256 C ATOM 26 N LIG 1 3.994 -0.319 0.842 0.00 0.00 -0.222 N ATOM 27 C LIG 1 4.105 -1.223 1.864 0.00 0.00 +0.255 C ATOM 28 O LIG 1 5.099 -1.567 2.473 0.00 0.00 -0.270 OA ATOM 29 O LIG 1 2.215 0.623 -0.343 0.00 0.00 -0.269 OA ATOM 30 C LIG 1 2.763 -1.739 2.118 0.00 0.00 +0.051 A ATOM 31 C LIG 1 2.329 -2.679 3.029 0.00 0.00 +0.014 A ATOM 32 C LIG 1 0.960 -2.949 3.051 0.00 0.00 +0.003 A ATOM 33 C LIG 1 0.074 -2.284 2.172 0.00 0.00 +0.024 A BRANCH 26 34 ATOM 34 C LIG 1 5.096 0.531 0.420 0.00 0.00 +0.171 C ATOM 35 C LIG 1 4.971 1.894 1.110 0.00 0.00 +0.240 C ATOM 36 O LIG 1 4.352 2.076 2.157 0.00 0.00 -0.273 OA ATOM 37 N LIG 1 5.663 2.927 0.519 0.00 0.00 -0.255 N ATOM 38 H LIG 1 5.593 3.826 0.978 0.00 0.00 +0.158 HD ATOM 39 C LIG 1 6.320 2.921 -0.687 0.00 0.00 +0.219 C ATOM 40 O LIG 1 6.851 3.937 -1.125 0.00 0.00 -0.275 OA ATOM 41 C LIG 1 6.408 1.592 -1.403 0.00 0.00 +0.098 C ATOM 42 C LIG 1 5.204 0.715 -1.091 0.00 0.00 +0.041 C ENDBRANCH 26 34 ENDBRANCH 1 23 TORSDOF 4