REMARK Name = LIG000739 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.097 -1.383 0.330 0.00 0.00 +0.210 A ATOM 2 C LIG 1 0.538 -2.072 -0.827 0.00 0.00 +0.288 A ATOM 3 O LIG 1 -0.010 -3.065 -1.288 0.00 0.00 -0.265 OA ATOM 4 N LIG 1 1.681 -1.478 -1.309 0.00 0.00 -0.253 N ATOM 5 C LIG 1 2.103 -0.206 -0.925 0.00 0.00 +0.353 A ATOM 6 O LIG 1 3.099 0.290 -1.455 0.00 0.00 -0.244 OA ATOM 7 N LIG 1 1.317 0.428 0.064 0.00 0.00 -0.181 N ATOM 8 N LIG 1 0.274 -0.201 0.714 0.00 0.00 -0.152 NA ENDROOT BRANCH 1 12 ATOM 9 C LIG 1 -4.144 -0.758 -0.826 0.00 0.00 +0.115 C ATOM 10 C LIG 1 -2.856 -0.485 -0.048 0.00 0.00 +0.122 C ATOM 11 N LIG 1 -2.517 -1.581 0.859 0.00 0.00 -0.295 N ATOM 12 C LIG 1 -1.219 -2.030 1.101 0.00 0.00 +0.272 C ATOM 13 O LIG 1 -0.919 -2.899 1.912 0.00 0.00 -0.268 OA ATOM 14 C LIG 1 -3.573 -2.109 1.715 0.00 0.00 +0.108 C ATOM 15 C LIG 1 -4.918 -1.421 1.504 0.00 0.00 +0.020 C ATOM 16 C LIG 1 -5.272 -1.371 0.021 0.00 0.00 +0.018 C BRANCH 9 17 ATOM 17 C LIG 1 -4.565 0.527 -1.505 0.00 0.00 +0.312 C ATOM 18 O LIG 1 -4.400 0.745 -2.698 0.00 0.00 -0.250 OA BRANCH 17 19 ATOM 19 O LIG 1 -5.097 1.406 -0.612 0.00 0.00 -0.465 OA BRANCH 19 21 ATOM 20 C LIG 1 -6.936 2.568 -1.672 0.00 0.00 +0.048 C ATOM 21 C LIG 1 -5.516 2.670 -1.148 0.00 0.00 +0.229 C ENDBRANCH 19 21 ENDBRANCH 17 19 ENDBRANCH 9 17 ENDBRANCH 1 12 BRANCH 7 22 ATOM 22 C LIG 1 1.544 1.775 0.541 0.00 0.00 +0.071 A ATOM 23 C LIG 1 0.847 2.252 1.671 0.00 0.00 +0.031 A ATOM 24 C LIG 1 1.019 3.556 2.177 0.00 0.00 -0.046 A ATOM 25 C LIG 1 0.248 3.980 3.397 0.00 0.00 +0.044 C ATOM 26 C LIG 1 1.916 4.426 1.539 0.00 0.00 -0.047 A ATOM 27 C LIG 1 2.148 5.827 2.034 0.00 0.00 +0.044 C ATOM 28 C LIG 1 2.608 3.971 0.412 0.00 0.00 +0.006 A ATOM 29 C LIG 1 2.423 2.670 -0.077 0.00 0.00 +0.028 A ENDBRANCH 7 22 BRANCH 4 30 ATOM 30 C LIG 1 2.425 -2.182 -2.342 0.00 0.00 +0.165 C BRANCH 30 31 ATOM 31 C LIG 1 3.462 -3.107 -1.742 0.00 0.00 -0.024 A ATOM 32 C LIG 1 4.746 -2.626 -1.428 0.00 0.00 +0.051 A ATOM 33 C LIG 1 5.698 -3.465 -0.847 0.00 0.00 +0.120 A ATOM 34 C LIG 1 5.365 -4.795 -0.581 0.00 0.00 +0.045 A ATOM 35 C LIG 1 4.093 -5.283 -0.880 0.00 0.00 +0.004 A ATOM 36 C LIG 1 3.143 -4.441 -1.455 0.00 0.00 +0.005 A BRANCH 33 37 ATOM 37 O LIG 1 6.973 -3.113 -0.497 0.00 0.00 -0.495 OA ATOM 38 C LIG 1 7.332 -1.748 -0.669 0.00 0.00 +0.277 C ENDBRANCH 33 37 ENDBRANCH 30 31 ENDBRANCH 4 30 TORSDOF 8