REMARK Name = BDB052548 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.935 -0.349 -0.242 0.00 0.00 -0.016 A ATOM 2 C LIG 1 3.102 0.104 0.401 0.00 0.00 +0.036 A ATOM 3 C LIG 1 4.272 0.413 -0.321 0.00 0.00 +0.066 A ATOM 4 C LIG 1 4.256 0.303 -1.714 0.00 0.00 +0.028 A ATOM 5 C LIG 1 3.107 -0.143 -2.368 0.00 0.00 +0.003 A ATOM 6 C LIG 1 1.962 -0.471 -1.639 0.00 0.00 +0.008 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 -1.682 -0.516 0.886 0.00 0.00 +0.037 A ATOM 8 C LIG 1 -0.535 -0.182 0.156 0.00 0.00 +0.021 A ATOM 9 C LIG 1 0.723 -0.684 0.528 0.00 0.00 -0.017 A ATOM 10 C LIG 1 0.789 -1.514 1.663 0.00 0.00 +0.008 A ATOM 11 C LIG 1 -0.354 -1.825 2.408 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -1.593 -1.320 2.023 0.00 0.00 +0.013 A BRANCH 7 15 ATOM 13 C LIG 1 -5.277 -0.330 -0.388 0.00 0.00 +0.076 C ATOM 14 N LIG 1 -3.986 -0.832 0.095 0.00 0.00 -0.294 N ATOM 15 C LIG 1 -2.981 0.047 0.464 0.00 0.00 +0.247 C ATOM 16 O LIG 1 -3.103 1.269 0.440 0.00 0.00 -0.270 OA ATOM 17 C LIG 1 -3.829 -2.254 -0.181 0.00 0.00 +0.108 C ATOM 18 C LIG 1 -5.217 -2.722 -0.586 0.00 0.00 +0.021 C ATOM 19 C LIG 1 -5.812 -1.484 -1.244 0.00 0.00 +0.024 C BRANCH 13 20 ATOM 20 C LIG 1 -6.181 0.046 0.799 0.00 0.00 +0.022 C BRANCH 20 21 ATOM 21 C LIG 1 -7.565 0.592 0.431 0.00 0.00 +0.002 C BRANCH 21 23 ATOM 22 C LIG 1 -8.904 2.434 -0.647 0.00 0.00 +0.004 C ATOM 23 C LIG 1 -7.514 1.855 -0.429 0.00 0.00 -0.003 C ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 13 20 ENDBRANCH 7 15 ENDBRANCH 1 9 BRANCH 3 24 ATOM 24 N LIG 1 5.423 0.870 0.389 0.00 0.00 -0.236 N ATOM 25 C LIG 1 6.742 1.008 -0.029 0.00 0.00 +0.062 A ATOM 26 C LIG 1 7.405 1.729 0.953 0.00 0.00 +0.100 A ATOM 27 C LIG 1 6.462 1.815 1.993 0.00 0.00 +0.150 A ATOM 28 N LIG 1 5.294 1.255 1.689 0.00 0.00 -0.174 NA BRANCH 25 29 ATOM 29 C LIG 1 7.414 0.440 -1.319 0.00 0.00 +0.039 C ATOM 30 C LIG 1 8.589 -0.499 -1.166 0.00 0.00 +0.010 C ATOM 31 C LIG 1 7.275 -1.027 -1.646 0.00 0.00 +0.010 C ENDBRANCH 25 29 BRANCH 26 32 ATOM 32 C LIG 1 8.748 2.256 0.994 0.00 0.00 +0.340 C ATOM 33 O LIG 1 9.294 2.695 1.995 0.00 0.00 -0.245 OA BRANCH 32 34 ATOM 34 O LIG 1 9.400 2.286 -0.188 0.00 0.00 -0.477 OA ATOM 35 H LIG 1 10.263 2.685 0.045 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 26 32 ENDBRANCH 3 24 TORSDOF 9