REMARK Name = BDB046669 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.564 -0.570 1.711 0.00 0.00 +0.121 A ATOM 2 C LIG 1 0.708 -0.715 0.332 0.00 0.00 +0.046 A ATOM 3 C LIG 1 1.954 -1.039 -0.217 0.00 0.00 +0.007 A ATOM 4 C LIG 1 3.076 -1.218 0.603 0.00 0.00 -0.043 A ATOM 5 C LIG 1 2.922 -1.084 1.987 0.00 0.00 +0.007 A ATOM 6 C LIG 1 1.677 -0.760 2.532 0.00 0.00 +0.046 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 -0.586 -0.261 2.381 0.00 0.00 -0.492 OA BRANCH 7 8 ATOM 8 C LIG 1 -1.780 -0.026 1.629 0.00 0.00 +0.235 C BRANCH 8 9 ATOM 9 C LIG 1 -2.515 -1.337 1.355 0.00 0.00 +0.100 C BRANCH 9 12 ATOM 10 C LIG 1 -3.270 -2.807 -1.574 0.00 0.00 +0.088 C ATOM 11 C LIG 1 -3.943 -1.781 -0.760 0.00 0.00 +0.125 A ATOM 12 C LIG 1 -3.668 -1.156 0.438 0.00 0.00 +0.086 A ATOM 13 N LIG 1 -4.670 -0.257 0.727 0.00 0.00 -0.218 NA ATOM 14 C LIG 1 -5.503 -0.368 -0.288 0.00 0.00 +0.199 A ATOM 15 O LIG 1 -5.120 -1.277 -1.236 0.00 0.00 -0.444 OA BRANCH 14 16 ATOM 16 C LIG 1 -6.783 0.357 -0.538 0.00 0.00 +0.075 C ATOM 17 C LIG 1 -6.531 1.864 -0.689 0.00 0.00 +0.013 C ATOM 18 C LIG 1 -7.834 2.634 -0.893 0.00 0.00 +0.001 C ATOM 19 C LIG 1 -8.838 2.349 0.220 0.00 0.00 +0.000 C ATOM 20 C LIG 1 -9.092 0.853 0.378 0.00 0.00 +0.001 C ATOM 21 C LIG 1 -7.792 0.079 0.586 0.00 0.00 +0.013 C ENDBRANCH 14 16 ENDBRANCH 9 12 ENDBRANCH 8 9 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 22 ATOM 22 C LIG 1 4.423 -1.558 0.006 0.00 0.00 +0.094 C BRANCH 22 23 ATOM 23 C LIG 1 5.382 -0.377 -0.328 0.00 0.00 +0.207 C ATOM 24 C LIG 1 4.726 0.561 -1.358 0.00 0.00 +0.068 C BRANCH 23 25 ATOM 25 C LIG 1 5.704 0.331 1.006 0.00 0.00 +0.349 C ATOM 26 O LIG 1 6.244 -0.174 1.982 0.00 0.00 -0.246 OA BRANCH 25 27 ATOM 27 O LIG 1 5.321 1.624 1.065 0.00 0.00 -0.478 OA ATOM 28 H LIG 1 5.591 1.912 1.962 0.00 0.00 +0.295 HD ENDBRANCH 25 27 ENDBRANCH 23 25 BRANCH 23 29 ATOM 29 O LIG 1 6.524 -1.040 -0.932 0.00 0.00 -0.474 OA BRANCH 29 30 ATOM 30 C LIG 1 7.630 -0.262 -1.129 0.00 0.00 +0.122 A ATOM 31 C LIG 1 8.614 -0.190 -0.145 0.00 0.00 +0.046 A ATOM 32 C LIG 1 9.770 0.558 -0.372 0.00 0.00 +0.004 A ATOM 33 C LIG 1 9.953 1.206 -1.594 0.00 0.00 +0.000 A ATOM 34 C LIG 1 8.988 1.094 -2.595 0.00 0.00 +0.004 A ATOM 35 C LIG 1 7.831 0.346 -2.367 0.00 0.00 +0.046 A ENDBRANCH 29 30 ENDBRANCH 23 29 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 11