REMARK Name = BDB010793 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.000 -0.956 -0.380 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.683 -0.833 -0.827 0.00 0.00 +0.128 A ATOM 3 C LIG 1 0.248 -1.593 -1.899 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -1.069 -1.383 -2.165 0.00 0.00 -0.212 NA ATOM 5 C LIG 1 -1.472 -0.472 -1.300 0.00 0.00 +0.116 A ATOM 6 N LIG 1 1.017 -2.450 -2.588 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 2.272 -2.474 -2.124 0.00 0.00 +0.203 A ATOM 8 N LIG 1 -0.418 -0.067 -0.494 0.00 0.00 -0.323 N ATOM 9 N LIG 1 2.786 -1.790 -1.086 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 3.189 -3.388 -2.842 0.00 0.00 +0.220 A ATOM 11 N LIG 1 2.728 -4.088 -3.891 0.00 0.00 -0.269 N ATOM 12 H LIG 1 1.794 -4.071 -4.269 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 3.748 -4.825 -4.347 0.00 0.00 +0.440 A ATOM 14 O LIG 1 3.712 -5.595 -5.293 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 4.849 -4.573 -3.567 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 4.437 -3.616 -2.582 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 5 17 ATOM 17 C LIG 1 -2.902 0.019 -1.196 0.00 0.00 +0.063 C ATOM 18 C LIG 1 -3.752 -1.011 -0.393 0.00 0.00 +0.029 C ATOM 19 C LIG 1 -5.235 -0.927 -0.790 0.00 0.00 +0.009 C ATOM 20 C LIG 1 -5.442 -1.281 -2.265 0.00 0.00 +0.001 C ATOM 21 C LIG 1 -4.264 -0.892 -3.159 0.00 0.00 +0.001 C ATOM 22 C LIG 1 -3.489 0.297 -2.600 0.00 0.00 +0.012 C BRANCH 18 23 ATOM 23 C LIG 1 -3.539 -0.854 1.108 0.00 0.00 -0.044 A ATOM 24 C LIG 1 -2.731 -1.778 1.790 0.00 0.00 +0.004 A ATOM 25 C LIG 1 -2.481 -1.636 3.156 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -3.034 -0.568 3.858 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -3.838 0.357 3.196 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -4.089 0.217 1.829 0.00 0.00 +0.004 A ENDBRANCH 18 23 ENDBRANCH 5 17 BRANCH 1 29 ATOM 29 N LIG 1 2.495 -0.275 0.721 0.00 0.00 -0.324 N ATOM 30 H LIG 1 1.811 -0.230 1.466 0.00 0.00 +0.148 HD BRANCH 29 32 ATOM 31 C LIG 1 4.933 -0.073 0.263 0.00 0.00 +0.028 C ATOM 32 C LIG 1 3.848 -0.518 1.242 0.00 0.00 +0.072 C BRANCH 32 33 ATOM 33 C LIG 1 4.075 -1.954 1.715 0.00 0.00 +0.009 C ATOM 34 C LIG 1 5.251 -2.179 2.708 0.00 0.00 +0.005 C ATOM 35 C LIG 1 4.365 -3.231 3.406 0.00 0.00 +0.001 C ATOM 36 C LIG 1 3.147 -2.464 2.854 0.00 0.00 +0.005 C ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 1 29 BRANCH 8 37 ATOM 37 C LIG 1 -0.449 0.987 0.507 0.00 0.00 +0.127 C BRANCH 37 38 ATOM 38 C LIG 1 0.284 2.277 0.087 0.00 0.00 +0.009 C ATOM 39 C LIG 1 0.394 3.253 1.277 0.00 0.00 +0.005 C ATOM 40 C LIG 1 -0.710 4.306 1.266 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -0.673 5.171 -0.007 0.00 0.00 -0.014 C ATOM 42 C LIG 1 0.082 6.480 0.227 0.00 0.00 +0.007 C ATOM 43 C LIG 1 -0.074 4.423 -1.211 0.00 0.00 +0.003 C ATOM 44 C LIG 1 -0.381 2.932 -1.141 0.00 0.00 +0.005 C ENDBRANCH 37 38 ENDBRANCH 8 37 TORSDOF 8