REMARK Name = BDB006924 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.478 -1.328 0.420 0.00 0.00 +0.234 C ATOM 2 N LIG 1 1.635 -0.593 0.190 0.00 0.00 -0.269 N ATOM 3 C LIG 1 1.872 0.676 -0.371 0.00 0.00 +0.041 A ATOM 4 C LIG 1 3.243 0.966 -0.319 0.00 0.00 -0.018 A ATOM 5 C LIG 1 3.753 2.163 -0.815 0.00 0.00 +0.007 A ATOM 6 C LIG 1 2.874 3.084 -1.382 0.00 0.00 +0.019 A ATOM 7 C LIG 1 1.503 2.800 -1.446 0.00 0.00 +0.054 A ATOM 8 C LIG 1 4.019 -0.147 0.366 0.00 0.00 +0.022 C ATOM 9 C LIG 1 4.532 0.297 1.762 0.00 0.00 +0.049 C ATOM 10 C LIG 1 5.962 0.644 1.474 0.00 0.00 -0.043 A ATOM 11 C LIG 1 6.372 0.120 0.245 0.00 0.00 -0.043 A ATOM 12 C LIG 1 7.670 0.289 -0.207 0.00 0.00 +0.004 A ATOM 13 C LIG 1 8.561 1.010 0.591 0.00 0.00 +0.000 A ATOM 14 C LIG 1 8.149 1.537 1.825 0.00 0.00 +0.000 A ATOM 15 C LIG 1 6.841 1.351 2.277 0.00 0.00 +0.004 A ATOM 16 C LIG 1 5.260 -0.631 -0.423 0.00 0.00 +0.049 C ATOM 17 C LIG 1 0.999 1.589 -0.941 0.00 0.00 +0.042 A ATOM 18 C LIG 1 2.933 -1.232 0.460 0.00 0.00 +0.126 C ATOM 19 O LIG 1 0.568 -2.494 0.823 0.00 0.00 -0.274 OA ENDROOT BRANCH 7 20 ATOM 20 C LIG 1 0.602 3.752 -2.029 0.00 0.00 +0.099 C ATOM 21 N LIG 1 -0.145 4.512 -2.487 0.00 0.00 -0.191 NA ENDBRANCH 7 20 BRANCH 1 22 ATOM 22 C LIG 1 -0.880 -0.645 0.199 0.00 0.00 +0.181 C BRANCH 22 29 ATOM 23 C LIG 1 -3.735 -2.198 3.957 0.00 0.00 +0.025 C ATOM 24 C LIG 1 -3.169 -2.576 2.589 0.00 0.00 +0.065 C ATOM 25 N LIG 1 -4.269 -2.779 1.618 0.00 0.00 -0.310 NA ATOM 26 H LIG 1 -3.885 -3.419 0.913 0.00 0.00 +0.122 HD ATOM 27 C LIG 1 -4.565 -1.532 0.886 0.00 0.00 +0.109 C ATOM 28 C LIG 1 -3.334 -0.871 0.194 0.00 0.00 +0.158 C ATOM 29 N LIG 1 -2.033 -1.454 0.660 0.00 0.00 -0.280 NA ATOM 30 C LIG 1 -2.080 -1.565 2.132 0.00 0.00 +0.104 C BRANCH 28 31 ATOM 31 C LIG 1 -3.505 -0.992 -1.346 0.00 0.00 +0.234 C ATOM 32 N LIG 1 -4.423 -0.148 -1.966 0.00 0.00 -0.296 N ATOM 33 C LIG 1 -4.689 -0.323 -3.398 0.00 0.00 +0.136 C ATOM 34 C LIG 1 -6.148 0.006 -3.727 0.00 0.00 +0.179 C ATOM 35 O LIG 1 -6.550 1.332 -3.352 0.00 0.00 -0.377 OA ATOM 36 C LIG 1 -5.731 1.926 -2.339 0.00 0.00 +0.179 C ATOM 37 C LIG 1 -5.204 0.912 -1.317 0.00 0.00 +0.136 C ATOM 38 O LIG 1 -2.860 -1.806 -2.012 0.00 0.00 -0.274 OA ENDBRANCH 28 31 ENDBRANCH 22 29 ENDBRANCH 1 22 TORSDOF 4