REMARK Name = BDB008849 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.191 -0.038 -0.401 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -0.865 -0.337 0.469 0.00 0.00 +0.017 A ATOM 3 C LIG 1 -1.815 -1.310 0.124 0.00 0.00 -0.041 A ATOM 4 C LIG 1 -1.670 -1.991 -1.094 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -0.628 -1.676 -1.971 0.00 0.00 +0.001 A ATOM 6 C LIG 1 0.296 -0.690 -1.632 0.00 0.00 +0.013 A ENDROOT BRANCH 1 8 ATOM 7 O LIG 1 0.674 2.108 0.342 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 1.143 1.028 -0.014 0.00 0.00 +0.247 C ATOM 9 N LIG 1 2.507 0.768 -0.063 0.00 0.00 -0.295 N ATOM 10 C LIG 1 3.430 1.863 0.246 0.00 0.00 +0.127 C ATOM 11 C LIG 1 4.841 1.657 -0.335 0.00 0.00 +0.127 C ATOM 12 N LIG 1 5.383 0.338 0.003 0.00 0.00 -0.297 N ATOM 13 C LIG 1 4.479 -0.677 0.535 0.00 0.00 +0.127 C ATOM 14 C LIG 1 3.097 -0.577 -0.140 0.00 0.00 +0.127 C BRANCH 12 15 ATOM 15 C LIG 1 6.729 0.229 0.277 0.00 0.00 +0.218 A ATOM 16 N LIG 1 7.175 -0.876 0.901 0.00 0.00 -0.223 NA ATOM 17 C LIG 1 8.497 -0.972 1.140 0.00 0.00 +0.116 A ATOM 18 C LIG 1 9.404 -0.010 0.780 0.00 0.00 +0.039 A ATOM 19 C LIG 1 8.867 1.080 0.148 0.00 0.00 +0.116 A ATOM 20 N LIG 1 7.553 1.218 -0.110 0.00 0.00 -0.223 NA ENDBRANCH 12 15 ENDBRANCH 1 8 BRANCH 3 21 ATOM 21 C LIG 1 -2.946 -1.635 1.073 0.00 0.00 +0.092 C BRANCH 21 22 ATOM 22 C LIG 1 -4.322 -1.629 0.413 0.00 0.00 +0.069 A ATOM 23 C LIG 1 -5.053 -0.335 0.236 0.00 0.00 -0.016 A ATOM 24 C LIG 1 -4.437 0.967 0.665 0.00 0.00 +0.037 C ATOM 25 C LIG 1 -5.184 2.198 0.143 0.00 0.00 +0.005 C ATOM 26 C LIG 1 -6.692 2.021 0.259 0.00 0.00 +0.005 C ATOM 27 C LIG 1 -7.159 0.795 -0.527 0.00 0.00 +0.041 C ATOM 28 C LIG 1 -6.276 -0.404 -0.319 0.00 0.00 +0.023 A ATOM 29 C LIG 1 -6.826 -1.713 -0.752 0.00 0.00 +0.268 A ATOM 30 O LIG 1 -7.933 -1.812 -1.270 0.00 0.00 -0.266 OA ATOM 31 N LIG 1 -6.021 -2.799 -0.539 0.00 0.00 -0.243 N ATOM 32 H LIG 1 -6.381 -3.704 -0.824 0.00 0.00 +0.192 HD ATOM 33 N LIG 1 -4.792 -2.784 0.040 0.00 0.00 -0.175 NA ENDBRANCH 21 22 ENDBRANCH 3 21 TORSDOF 4