REMARK Name = BDB010353 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.028 -0.743 0.052 0.00 0.00 -0.307 N ATOM 2 C LIG 1 -0.694 -0.749 1.255 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.220 -1.884 1.891 0.00 0.00 +0.185 A ATOM 4 N LIG 1 -0.579 -2.264 3.128 0.00 0.00 -0.203 NA ATOM 5 C LIG 1 -1.463 -1.417 3.676 0.00 0.00 +0.203 A ATOM 6 N LIG 1 -2.002 -0.309 3.133 0.00 0.00 -0.207 NA ATOM 7 N LIG 1 0.630 -2.593 1.096 0.00 0.00 -0.194 NA ATOM 8 C LIG 1 -1.635 0.057 1.887 0.00 0.00 +0.152 A ATOM 9 C LIG 1 0.692 -1.919 -0.029 0.00 0.00 +0.201 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -1.900 -1.769 5.046 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -1.396 -2.866 5.635 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -0.727 -3.512 5.247 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -1.953 -2.946 6.850 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -1.739 -3.813 7.682 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -2.809 -1.884 7.006 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -2.745 -1.130 5.790 0.00 0.00 -0.051 NA ENDBRANCH 5 10 BRANCH 9 17 ATOM 17 N LIG 1 1.331 -2.297 -1.175 0.00 0.00 -0.289 N ATOM 18 C LIG 1 2.705 -2.857 -0.950 0.00 0.00 +0.132 C ATOM 19 C LIG 1 2.801 -4.344 -1.379 0.00 0.00 +0.187 C ATOM 20 O LIG 1 2.393 -4.615 -2.728 0.00 0.00 -0.376 OA ATOM 21 C LIG 1 1.279 -3.826 -3.155 0.00 0.00 +0.179 C ATOM 22 C LIG 1 0.482 -3.191 -2.012 0.00 0.00 +0.136 C BRANCH 18 23 ATOM 23 C LIG 1 3.784 -1.997 -1.612 0.00 0.00 -0.025 A ATOM 24 C LIG 1 5.097 -2.050 -1.109 0.00 0.00 +0.005 A ATOM 25 C LIG 1 6.120 -1.290 -1.680 0.00 0.00 +0.000 A ATOM 26 C LIG 1 5.850 -0.464 -2.767 0.00 0.00 +0.000 A ATOM 27 C LIG 1 4.558 -0.398 -3.282 0.00 0.00 +0.000 A ATOM 28 C LIG 1 3.535 -1.159 -2.710 0.00 0.00 +0.005 A ENDBRANCH 18 23 ENDBRANCH 9 17 BRANCH 8 29 ATOM 29 N LIG 1 -2.210 1.182 1.275 0.00 0.00 -0.310 N ATOM 30 C LIG 1 -3.669 0.966 1.035 0.00 0.00 +0.078 C ATOM 31 C LIG 1 -4.337 2.256 1.536 0.00 0.00 +0.024 C ATOM 32 C LIG 1 -3.453 2.662 2.694 0.00 0.00 +0.021 C ATOM 33 C LIG 1 -2.065 2.376 2.143 0.00 0.00 +0.107 C BRANCH 30 34 ATOM 34 C LIG 1 -3.957 0.768 -0.459 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -3.672 -0.643 -1.049 0.00 0.00 +0.005 C ATOM 36 C LIG 1 -5.157 -0.982 -0.824 0.00 0.00 +0.001 C ATOM 37 C LIG 1 -5.443 0.529 -0.857 0.00 0.00 +0.005 C ENDBRANCH 30 34 ENDBRANCH 8 29 BRANCH 1 38 ATOM 38 C LIG 1 -0.041 0.301 -0.956 0.00 0.00 +0.128 C BRANCH 38 43 ATOM 39 C LIG 1 2.600 5.147 -1.382 0.00 0.00 +0.007 C ATOM 40 C LIG 1 1.554 4.214 -0.768 0.00 0.00 -0.014 C ATOM 41 C LIG 1 2.232 3.215 0.186 0.00 0.00 +0.003 C ATOM 42 C LIG 1 1.377 1.967 0.372 0.00 0.00 +0.005 C ATOM 43 C LIG 1 1.221 1.189 -0.948 0.00 0.00 +0.009 C ATOM 44 C LIG 1 1.240 2.121 -2.178 0.00 0.00 +0.005 C ATOM 45 C LIG 1 0.715 3.516 -1.854 0.00 0.00 +0.003 C ENDBRANCH 38 43 ENDBRANCH 1 38 TORSDOF 7