REMARK Name = BDB042149 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.331 -1.489 1.832 0.00 0.00 +0.247 C ATOM 2 N LIG 1 -0.914 -0.915 1.982 0.00 0.00 -0.292 N ATOM 3 C LIG 1 -2.117 -1.752 2.076 0.00 0.00 +0.092 C ATOM 4 C LIG 1 -2.576 -2.146 0.652 0.00 0.00 +0.108 C ATOM 5 N LIG 1 -2.965 -0.835 0.066 0.00 0.00 -0.285 NA ATOM 6 C LIG 1 -2.868 0.127 1.194 0.00 0.00 +0.077 C ATOM 7 C LIG 1 -3.184 -0.724 2.427 0.00 0.00 +0.044 C ATOM 8 C LIG 1 -1.347 0.380 1.438 0.00 0.00 +0.127 C ATOM 9 O LIG 1 0.521 -2.702 1.879 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 16 ATOM 10 N LIG 1 5.408 0.924 -0.344 0.00 0.00 -0.282 N ATOM 11 C LIG 1 4.917 1.661 0.721 0.00 0.00 +0.248 C ATOM 12 O LIG 1 5.407 2.644 1.241 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 3.679 1.005 1.155 0.00 0.00 +0.042 A ATOM 14 C LIG 1 3.495 -0.134 0.371 0.00 0.00 -0.017 A ATOM 15 C LIG 1 2.401 -0.956 0.582 0.00 0.00 +0.019 A ATOM 16 C LIG 1 1.492 -0.599 1.591 0.00 0.00 +0.037 A ATOM 17 C LIG 1 1.705 0.544 2.392 0.00 0.00 +0.014 A ATOM 18 C LIG 1 2.813 1.366 2.171 0.00 0.00 +0.014 A ATOM 19 C LIG 1 4.607 -0.264 -0.617 0.00 0.00 +0.144 C BRANCH 10 26 ATOM 20 O LIG 1 10.343 0.178 -2.673 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 9.288 0.507 -2.139 0.00 0.00 +0.219 C ATOM 22 N LIG 1 8.144 0.669 -2.878 0.00 0.00 -0.255 N ATOM 23 H LIG 1 8.226 0.442 -3.860 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 6.859 0.820 -2.408 0.00 0.00 +0.240 C ATOM 25 O LIG 1 5.907 0.711 -3.179 0.00 0.00 -0.273 OA ATOM 26 C LIG 1 6.730 1.165 -0.916 0.00 0.00 +0.163 C ATOM 27 C LIG 1 7.809 0.423 -0.126 0.00 0.00 +0.041 C ATOM 28 C LIG 1 9.183 0.790 -0.661 0.00 0.00 +0.098 C ENDBRANCH 10 26 ENDBRANCH 1 16 BRANCH 5 29 ATOM 29 C LIG 1 -4.188 -0.841 -0.760 0.00 0.00 +0.118 C BRANCH 29 30 ATOM 30 C LIG 1 -5.496 -0.972 0.033 0.00 0.00 -0.026 A ATOM 31 C LIG 1 -6.103 -2.232 0.182 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -7.290 -2.375 0.904 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -7.893 -1.262 1.484 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -7.313 -0.004 1.341 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -6.125 0.141 0.621 0.00 0.00 +0.005 A ENDBRANCH 29 30 BRANCH 29 36 ATOM 36 C LIG 1 -4.211 0.284 -1.819 0.00 0.00 -0.026 A ATOM 37 C LIG 1 -3.080 1.069 -2.107 0.00 0.00 +0.005 A ATOM 38 C LIG 1 -3.114 2.055 -3.098 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -4.275 2.264 -3.837 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -5.397 1.478 -3.595 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -5.362 0.492 -2.606 0.00 0.00 +0.005 A ENDBRANCH 29 36 ENDBRANCH 5 29 TORSDOF 5