REMARK Name = BDB048689 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.991 1.495 -1.050 0.00 0.00 -0.285 N ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.419 2.766 -1.222 0.00 0.00 +0.291 A ATOM 3 O LIG 1 -0.533 3.776 -0.943 0.00 0.00 -0.424 OA ATOM 4 C LIG 1 -1.233 4.916 -1.198 0.00 0.00 +0.157 A ATOM 5 C LIG 1 -2.500 4.547 -1.614 0.00 0.00 +0.111 A ATOM 6 C LIG 1 -3.424 5.548 -1.940 0.00 0.00 +0.031 A ATOM 7 C LIG 1 -3.016 6.886 -1.828 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.722 7.216 -1.403 0.00 0.00 +0.004 A ATOM 9 C LIG 1 -0.788 6.226 -1.073 0.00 0.00 +0.048 A ATOM 10 N LIG 1 -2.605 3.181 -1.623 0.00 0.00 -0.195 NA ENDBRANCH 1 2 BRANCH 1 11 ATOM 11 C LIG 1 0.354 1.206 -0.561 0.00 0.00 +0.114 C BRANCH 11 12 ATOM 12 C LIG 1 0.450 1.357 0.962 0.00 0.00 +0.054 C BRANCH 12 15 ATOM 13 C LIG 1 3.612 -0.394 2.150 0.00 0.00 +0.122 A ATOM 14 C LIG 1 2.300 -0.179 1.732 0.00 0.00 +0.049 A ATOM 15 C LIG 1 1.856 1.121 1.457 0.00 0.00 -0.042 A ATOM 16 C LIG 1 2.743 2.194 1.620 0.00 0.00 +0.004 A ATOM 17 C LIG 1 4.047 1.973 2.070 0.00 0.00 +0.004 A ATOM 18 C LIG 1 4.481 0.677 2.344 0.00 0.00 +0.046 A BRANCH 13 19 ATOM 19 O LIG 1 4.002 -1.675 2.433 0.00 0.00 -0.478 OA BRANCH 19 20 ATOM 20 C LIG 1 4.888 -2.199 1.434 0.00 0.00 +0.281 C BRANCH 20 22 ATOM 21 C LIG 1 6.678 -2.620 3.185 0.00 0.00 +0.008 C ATOM 22 C LIG 1 5.792 -3.238 2.111 0.00 0.00 +0.053 C ENDBRANCH 20 22 BRANCH 20 23 ATOM 23 C LIG 1 4.113 -2.874 0.299 0.00 0.00 +0.346 C ATOM 24 O LIG 1 2.913 -3.089 0.233 0.00 0.00 -0.247 OA BRANCH 23 25 ATOM 25 O LIG 1 4.912 -3.238 -0.730 0.00 0.00 -0.478 OA ATOM 26 H LIG 1 4.289 -3.637 -1.374 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 19 20 ENDBRANCH 13 19 ENDBRANCH 12 15 ENDBRANCH 11 12 ENDBRANCH 1 11 BRANCH 1 27 ATOM 27 C LIG 1 -1.904 0.393 -1.337 0.00 0.00 +0.113 C BRANCH 27 28 ATOM 28 C LIG 1 -2.857 0.143 -0.166 0.00 0.00 +0.060 C BRANCH 28 29 ATOM 29 C LIG 1 -3.907 -0.908 -0.513 0.00 0.00 +0.230 C BRANCH 29 30 ATOM 30 O LIG 1 -3.246 -2.146 -0.772 0.00 0.00 -0.492 OA BRANCH 30 31 ATOM 31 C LIG 1 -4.032 -3.218 -1.092 0.00 0.00 +0.121 A ATOM 32 C LIG 1 -3.333 -4.409 -1.309 0.00 0.00 +0.045 A ATOM 33 C LIG 1 -4.011 -5.582 -1.644 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -5.398 -5.570 -1.766 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -6.102 -4.386 -1.552 0.00 0.00 +0.004 A ATOM 36 C LIG 1 -5.422 -3.211 -1.216 0.00 0.00 +0.045 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 1 27 TORSDOF 14