REMARK Name = BDB055671 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.108 -0.014 1.558 0.00 0.00 +0.111 A ATOM 2 N LIG 1 0.206 0.320 0.240 0.00 0.00 -0.316 N ATOM 3 C LIG 1 1.484 0.836 0.257 0.00 0.00 +0.135 A ATOM 4 C LIG 1 1.821 0.864 1.582 0.00 0.00 +0.096 A ATOM 5 C LIG 1 3.079 1.355 1.992 0.00 0.00 +0.048 A ATOM 6 C LIG 1 3.936 1.798 1.055 0.00 0.00 +0.092 A ATOM 7 N LIG 1 3.605 1.785 -0.306 0.00 0.00 -0.303 N ATOM 8 C LIG 1 2.376 1.276 -0.788 0.00 0.00 +0.278 A ATOM 9 O LIG 1 2.110 1.206 -1.984 0.00 0.00 -0.265 OA ATOM 10 N LIG 1 0.859 0.361 2.383 0.00 0.00 -0.232 NA ENDROOT BRANCH 2 11 ATOM 11 C LIG 1 -0.596 0.157 -0.965 0.00 0.00 +0.120 C ATOM 12 C LIG 1 -2.043 0.557 -0.831 0.00 0.00 -0.021 A ATOM 13 C LIG 1 -2.863 -0.366 -1.486 0.00 0.00 -0.042 A ATOM 14 C LIG 1 -4.238 -0.197 -1.532 0.00 0.00 +0.012 A ATOM 15 C LIG 1 -4.811 0.920 -0.899 0.00 0.00 -0.017 A ATOM 16 C LIG 1 -3.968 1.866 -0.276 0.00 0.00 +0.009 A ATOM 17 C LIG 1 -2.056 -1.444 -2.144 0.00 0.00 +0.038 C ATOM 18 C LIG 1 -2.581 1.694 -0.245 0.00 0.00 +0.006 A ATOM 19 C LIG 1 -0.696 -1.304 -1.447 0.00 0.00 +0.034 C BRANCH 15 20 ATOM 20 C LIG 1 -6.272 1.093 -0.875 0.00 0.00 -0.007 A ATOM 21 C LIG 1 -7.137 0.279 -0.102 0.00 0.00 +0.028 A ATOM 22 C LIG 1 -8.527 0.487 -0.193 0.00 0.00 +0.012 A ATOM 23 C LIG 1 -9.060 1.488 -1.006 0.00 0.00 +0.001 A ATOM 24 C LIG 1 -8.213 2.299 -1.749 0.00 0.00 +0.001 A ATOM 25 C LIG 1 -6.833 2.101 -1.686 0.00 0.00 +0.009 A BRANCH 21 26 ATOM 26 C LIG 1 -6.678 -0.783 0.801 0.00 0.00 +0.180 A ATOM 27 N LIG 1 -5.488 -0.807 1.479 0.00 0.00 -0.239 N ATOM 28 H LIG 1 -4.730 -0.139 1.480 0.00 0.00 +0.192 HD ATOM 29 N LIG 1 -5.393 -1.912 2.229 0.00 0.00 -0.046 NA ATOM 30 N LIG 1 -6.532 -2.557 2.032 0.00 0.00 -0.023 NA ATOM 31 N LIG 1 -7.342 -1.868 1.162 0.00 0.00 -0.108 NA ENDBRANCH 21 26 ENDBRANCH 15 20 ENDBRANCH 2 11 BRANCH 1 33 ATOM 32 C LIG 1 -1.156 -1.554 3.238 0.00 0.00 +0.012 C ATOM 33 C LIG 1 -1.372 -0.686 2.006 0.00 0.00 +0.071 C ENDBRANCH 1 33 BRANCH 7 34 ATOM 34 C LIG 1 4.598 2.211 -1.293 0.00 0.00 +0.245 C BRANCH 34 35 ATOM 35 C LIG 1 5.490 1.092 -1.821 0.00 0.00 +0.327 C ATOM 36 O LIG 1 6.403 1.293 -2.616 0.00 0.00 -0.249 OA BRANCH 35 37 ATOM 37 O LIG 1 5.165 -0.121 -1.301 0.00 0.00 -0.459 OA BRANCH 37 38 ATOM 38 C LIG 1 6.024 -1.209 -1.651 0.00 0.00 +0.267 C BRANCH 38 39 ATOM 39 C LIG 1 7.056 -1.381 -0.567 0.00 0.00 -0.010 A ATOM 40 C LIG 1 6.701 -1.942 0.668 0.00 0.00 +0.007 A ATOM 41 C LIG 1 7.650 -2.080 1.682 0.00 0.00 +0.000 A ATOM 42 C LIG 1 8.960 -1.652 1.473 0.00 0.00 +0.000 A ATOM 43 C LIG 1 9.321 -1.082 0.254 0.00 0.00 +0.000 A ATOM 44 C LIG 1 8.373 -0.943 -0.761 0.00 0.00 +0.007 A ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 7 34 TORSDOF 9