REMARK Name = BDB046166 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.070 -1.096 -0.911 0.00 0.00 +0.040 A ATOM 2 C LIG 1 -4.377 -0.592 -0.971 0.00 0.00 +0.174 A ATOM 3 C LIG 1 -4.810 0.581 -0.382 0.00 0.00 +0.049 A ATOM 4 C LIG 1 -6.194 0.660 -0.727 0.00 0.00 +0.121 A ATOM 5 N LIG 1 -6.560 -0.410 -1.453 0.00 0.00 -0.077 NA ATOM 6 C LIG 1 -3.885 1.335 0.358 0.00 0.00 +0.017 A ATOM 7 C LIG 1 -2.563 0.874 0.456 0.00 0.00 +0.047 A ATOM 8 O LIG 1 -5.424 -1.177 -1.611 0.00 0.00 -0.354 OA ATOM 9 C LIG 1 -2.157 -0.317 -0.163 0.00 0.00 +0.127 A ENDROOT BRANCH 4 10 ATOM 10 C LIG 1 -7.162 1.700 -0.383 0.00 0.00 +0.004 A ATOM 11 C LIG 1 -8.464 1.349 0.002 0.00 0.00 +0.010 A ATOM 12 C LIG 1 -9.394 2.335 0.339 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -9.034 3.680 0.287 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -7.747 4.042 -0.106 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -6.814 3.057 -0.442 0.00 0.00 +0.010 A ENDBRANCH 4 10 BRANCH 1 16 ATOM 16 C LIG 1 -2.680 -2.388 -1.583 0.00 0.00 +0.042 C BRANCH 16 18 ATOM 17 C LIG 1 -2.224 -3.809 0.489 0.00 0.00 +0.004 C ATOM 18 C LIG 1 -3.053 -3.635 -0.775 0.00 0.00 +0.001 C ENDBRANCH 16 18 ENDBRANCH 1 16 BRANCH 9 19 ATOM 19 O LIG 1 -0.883 -0.821 -0.098 0.00 0.00 -0.491 OA BRANCH 19 20 ATOM 20 C LIG 1 0.074 -0.139 0.708 0.00 0.00 +0.232 C BRANCH 20 21 ATOM 21 C LIG 1 1.379 -0.927 0.692 0.00 0.00 +0.082 C BRANCH 21 22 ATOM 22 C LIG 1 1.942 -1.081 -0.720 0.00 0.00 +0.232 C BRANCH 22 23 ATOM 23 O LIG 1 3.193 -1.771 -0.683 0.00 0.00 -0.492 OA BRANCH 23 24 ATOM 24 C LIG 1 4.343 -1.044 -0.556 0.00 0.00 +0.121 A ATOM 25 C LIG 1 4.437 0.325 -0.314 0.00 0.00 +0.046 A ATOM 26 C LIG 1 5.691 0.937 -0.200 0.00 0.00 +0.007 A ATOM 27 C LIG 1 6.867 0.188 -0.329 0.00 0.00 -0.047 A ATOM 28 C LIG 1 6.769 -1.188 -0.562 0.00 0.00 +0.007 A ATOM 29 C LIG 1 5.516 -1.795 -0.674 0.00 0.00 +0.046 A BRANCH 27 30 ATOM 30 C LIG 1 8.216 0.846 -0.185 0.00 0.00 +0.046 C BRANCH 30 31 ATOM 31 C LIG 1 8.704 0.813 1.261 0.00 0.00 +0.125 C BRANCH 31 32 ATOM 32 C LIG 1 10.045 1.476 1.391 0.00 0.00 +0.305 C ATOM 33 O LIG 1 10.699 2.009 0.511 0.00 0.00 -0.251 OA BRANCH 32 34 ATOM 34 O LIG 1 10.505 1.437 2.657 0.00 0.00 -0.481 OA ATOM 35 H LIG 1 11.373 1.893 2.612 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 9 19 TORSDOF 13