REMARK Name = BDB024680 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.841 0.300 0.314 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.827 -0.412 -0.353 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.173 -1.302 -1.490 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.940 -2.548 -1.012 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.974 -1.795 -2.316 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.952 -0.695 -2.485 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.490 -0.297 -1.114 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.135 -0.012 -0.843 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.061 -0.065 -1.693 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.987 0.299 -0.986 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.629 0.570 0.324 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.737 0.386 0.428 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.653 0.519 1.473 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.999 0.244 1.194 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.438 -0.154 -0.076 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.686 1.094 1.236 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.539 0.974 1.394 0.00 0.00 +0.091 C ATOM 18 C LIG 1 -1.263 2.394 1.904 0.00 0.00 +0.056 C ATOM 19 C LIG 1 -2.279 2.803 2.969 0.00 0.00 +0.117 C ATOM 20 C LIG 1 -2.342 1.786 4.107 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -2.627 0.377 3.597 0.00 0.00 +0.004 C ATOM 22 C LIG 1 -1.613 -0.051 2.538 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 O LIG 1 -1.918 4.065 3.516 0.00 0.00 -0.392 OA ATOM 24 H LIG 1 -1.867 4.709 2.788 0.00 0.00 +0.210 HD ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 26 ATOM 25 C LIG 1 8.144 0.777 0.409 0.00 0.00 +0.282 C ATOM 26 O LIG 1 7.080 0.054 -0.211 0.00 0.00 -0.453 OA ENDBRANCH 1 26 BRANCH 10 27 ATOM 27 C LIG 1 -2.375 0.385 -1.544 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 -3.167 -0.906 -1.285 0.00 0.00 +0.135 C BRANCH 28 29 ATOM 29 C LIG 1 -4.669 -0.673 -1.369 0.00 0.00 -0.033 A ATOM 30 C LIG 1 -5.268 -0.146 -2.523 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -6.646 0.073 -2.573 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -7.442 -0.233 -1.472 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -6.863 -0.763 -0.321 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.485 -0.983 -0.269 0.00 0.00 +0.004 A ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -2.704 -1.984 -2.248 0.00 0.00 +0.313 C ATOM 36 O LIG 1 -2.815 -1.985 -3.464 0.00 0.00 -0.250 OA BRANCH 35 37 ATOM 37 O LIG 1 -2.115 -3.024 -1.620 0.00 0.00 -0.480 OA ATOM 38 H LIG 1 -1.817 -3.599 -2.356 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 28 35 ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 8