REMARK Name = BDB056807 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.553 -0.183 0.143 0.00 0.00 +0.096 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.849 0.515 -0.073 0.00 0.00 +0.043 C ATOM 3 C LIG 1 1.890 0.185 1.028 0.00 0.00 +0.114 C ATOM 4 N LIG 1 3.261 0.331 0.541 0.00 0.00 -0.301 N ATOM 5 C LIG 1 4.191 -0.669 0.794 0.00 0.00 +0.216 C ATOM 6 O LIG 1 3.907 -1.673 1.448 0.00 0.00 -0.276 OA ATOM 7 C LIG 1 3.471 1.481 -0.329 0.00 0.00 +0.108 C ATOM 8 C LIG 1 2.730 1.272 -1.647 0.00 0.00 +0.019 C ATOM 9 C LIG 1 1.445 0.440 -1.500 0.00 0.00 +0.010 C BRANCH 5 10 ATOM 10 C LIG 1 5.584 -0.470 0.217 0.00 0.00 +0.097 C BRANCH 10 11 ATOM 11 C LIG 1 6.516 -1.639 0.546 0.00 0.00 +0.024 C BRANCH 11 12 ATOM 12 C LIG 1 7.941 -1.417 0.043 0.00 0.00 +0.078 C BRANCH 12 13 ATOM 13 N LIG 1 7.992 -1.314 -1.411 0.00 0.00 -0.330 NA ATOM 14 H LIG 1 8.963 -1.220 -1.706 0.00 0.00 +0.118 HD ATOM 15 H LIG 1 7.658 -2.186 -1.823 0.00 0.00 +0.118 HD ENDBRANCH 12 13 ENDBRANCH 11 12 ENDBRANCH 10 11 ENDBRANCH 5 10 ENDBRANCH 1 2 BRANCH 1 17 ATOM 16 C LIG 1 -1.809 -2.491 0.426 0.00 0.00 +0.023 A ATOM 17 C LIG 1 -0.622 -1.744 0.121 0.00 0.00 -0.005 A ATOM 18 C LIG 1 0.532 -2.504 -0.186 0.00 0.00 +0.007 A ATOM 19 C LIG 1 0.543 -3.903 -0.222 0.00 0.00 +0.003 A ATOM 20 C LIG 1 -0.612 -4.608 0.053 0.00 0.00 +0.039 A ATOM 21 C LIG 1 -1.763 -3.907 0.374 0.00 0.00 +0.131 A ATOM 22 F LIG 1 -2.864 -4.625 0.652 0.00 0.00 -0.205 F BRANCH 16 25 ATOM 23 C LIG 1 -5.432 -1.359 0.232 0.00 0.00 -0.047 A ATOM 24 C LIG 1 -4.174 -1.874 -0.116 0.00 0.00 +0.012 A ATOM 25 C LIG 1 -3.113 -1.913 0.810 0.00 0.00 -0.015 A ATOM 26 C LIG 1 -3.364 -1.475 2.118 0.00 0.00 +0.008 A ATOM 27 C LIG 1 -4.614 -0.965 2.476 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -5.642 -0.905 1.537 0.00 0.00 +0.003 A BRANCH 23 30 ATOM 29 C LIG 1 -7.343 -2.632 -0.778 0.00 0.00 +0.009 C ATOM 30 C LIG 1 -6.551 -1.333 -0.778 0.00 0.00 +0.032 C ENDBRANCH 23 30 ENDBRANCH 16 25 ENDBRANCH 1 17 BRANCH 1 31 ATOM 31 O LIG 1 -0.940 0.230 1.466 0.00 0.00 -0.384 OA ATOM 32 H LIG 1 -0.698 -0.484 2.080 0.00 0.00 +0.211 HD ENDBRANCH 1 31 BRANCH 1 33 ATOM 33 C LIG 1 -1.590 0.415 -0.864 0.00 0.00 +0.041 C BRANCH 33 34 ATOM 34 C LIG 1 -1.671 1.945 -1.022 0.00 0.00 +0.022 C BRANCH 34 35 ATOM 35 C LIG 1 -2.011 2.700 0.261 0.00 0.00 +0.107 C BRANCH 35 36 ATOM 36 N LIG 1 -2.211 4.109 0.000 0.00 0.00 -0.281 N ATOM 37 H LIG 1 -3.143 4.484 -0.101 0.00 0.00 +0.152 HD ATOM 38 C LIG 1 -1.182 4.979 -0.189 0.00 0.00 +0.400 C ATOM 39 O LIG 1 0.006 4.696 -0.152 0.00 0.00 -0.226 OA BRANCH 38 40 ATOM 40 O LIG 1 -1.687 6.213 -0.436 0.00 0.00 -0.454 OA ATOM 41 C LIG 1 -0.691 7.213 -0.649 0.00 0.00 +0.282 C ENDBRANCH 38 40 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 1 33 TORSDOF 14