REMARK Name = BDB053328 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.213 0.269 1.484 0.00 0.00 +0.232 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 0.343 -0.512 0.663 0.00 0.00 -0.492 OA BRANCH 2 4 ATOM 3 C LIG 1 -1.821 -0.947 -0.158 0.00 0.00 -0.005 A ATOM 4 C LIG 1 -0.943 -0.069 0.501 0.00 0.00 +0.124 A ATOM 5 C LIG 1 -1.414 1.172 0.935 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -2.749 1.537 0.734 0.00 0.00 +0.007 A ATOM 7 C LIG 1 -3.644 0.671 0.096 0.00 0.00 -0.044 A ATOM 8 C LIG 1 -3.163 -0.568 -0.349 0.00 0.00 +0.011 A BRANCH 7 9 ATOM 9 C LIG 1 -5.089 1.095 -0.112 0.00 0.00 +0.019 C ATOM 10 C LIG 1 -6.107 0.100 0.493 0.00 0.00 +0.010 C ATOM 11 C LIG 1 -6.859 -0.704 -0.567 0.00 0.00 +0.032 C ATOM 12 C LIG 1 -7.594 0.202 -1.561 0.00 0.00 +0.115 C ATOM 13 C LIG 1 -6.859 1.513 -1.856 0.00 0.00 +0.032 C ATOM 14 C LIG 1 -5.362 1.400 -1.597 0.00 0.00 +0.010 C BRANCH 12 15 ATOM 15 O LIG 1 -8.885 0.531 -1.051 0.00 0.00 -0.392 OA ATOM 16 H LIG 1 -9.376 -0.300 -0.934 0.00 0.00 +0.210 HD ENDBRANCH 12 15 ENDBRANCH 7 9 BRANCH 3 17 ATOM 17 C LIG 1 -1.371 -2.305 -0.653 0.00 0.00 +0.038 C BRANCH 17 19 ATOM 18 C LIG 1 -1.018 -3.454 1.599 0.00 0.00 +0.004 C ATOM 19 C LIG 1 -1.767 -3.458 0.274 0.00 0.00 +0.001 C ENDBRANCH 17 19 ENDBRANCH 3 17 ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 C LIG 1 2.529 -0.493 1.612 0.00 0.00 +0.082 C BRANCH 20 21 ATOM 21 C LIG 1 3.500 0.190 2.568 0.00 0.00 +0.232 C BRANCH 21 22 ATOM 22 O LIG 1 3.736 1.551 2.212 0.00 0.00 -0.492 OA BRANCH 22 23 ATOM 23 C LIG 1 4.706 1.840 1.293 0.00 0.00 +0.121 A ATOM 24 C LIG 1 5.480 0.916 0.585 0.00 0.00 +0.057 A ATOM 25 C LIG 1 6.445 1.337 -0.349 0.00 0.00 +0.026 A ATOM 26 C LIG 1 6.622 2.715 -0.544 0.00 0.00 +0.012 A ATOM 27 C LIG 1 5.853 3.644 0.158 0.00 0.00 +0.004 A ATOM 28 C LIG 1 4.898 3.204 1.071 0.00 0.00 +0.046 A BRANCH 25 29 ATOM 29 C LIG 1 7.268 0.375 -1.101 0.00 0.00 +0.200 A ATOM 30 C LIG 1 7.126 -0.936 -1.295 0.00 0.00 +0.240 A ATOM 31 N LIG 1 8.141 -1.343 -2.069 0.00 0.00 -0.259 N ATOM 32 H LIG 1 8.352 -2.264 -2.412 0.00 0.00 +0.175 HD ATOM 33 C LIG 1 8.931 -0.259 -2.361 0.00 0.00 +0.421 A ATOM 34 O LIG 1 9.940 -0.291 -3.047 0.00 0.00 -0.223 OA ATOM 35 O LIG 1 8.415 0.880 -1.766 0.00 0.00 -0.404 OA BRANCH 30 36 ATOM 36 O LIG 1 6.183 -1.799 -0.865 0.00 0.00 -0.491 OA ATOM 37 H LIG 1 6.371 -2.659 -1.273 0.00 0.00 +0.294 HD ENDBRANCH 30 36 ENDBRANCH 25 29 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 12