REMARK Name = BDB061279 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.295 -1.995 1.304 0.00 0.00 +0.051 A ATOM 2 C LIG 1 -2.075 -1.732 0.154 0.00 0.00 +0.151 A ATOM 3 C LIG 1 -2.208 -2.683 -0.870 0.00 0.00 +0.106 A ATOM 4 C LIG 1 -3.041 -2.338 -2.047 0.00 0.00 +0.197 A ATOM 5 C LIG 1 -3.711 -1.029 -2.020 0.00 0.00 +0.098 A ATOM 6 C LIG 1 -3.520 -0.216 -0.976 0.00 0.00 +0.139 A ATOM 7 O LIG 1 -3.212 -3.062 -3.019 0.00 0.00 -0.287 OA ATOM 8 C LIG 1 -1.562 -3.919 -0.745 0.00 0.00 +0.135 A ATOM 9 C LIG 1 -0.810 -4.209 0.392 0.00 0.00 +0.092 A ATOM 10 O LIG 1 -2.704 -0.506 0.098 0.00 0.00 -0.454 OA ATOM 11 C LIG 1 -0.691 -3.257 1.406 0.00 0.00 +0.128 A ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 -4.171 1.103 -0.908 0.00 0.00 +0.018 A ATOM 13 C LIG 1 -5.558 1.238 -1.085 0.00 0.00 +0.015 A ATOM 14 C LIG 1 -6.168 2.494 -1.009 0.00 0.00 +0.046 A ATOM 15 C LIG 1 -5.390 3.617 -0.752 0.00 0.00 +0.117 A ATOM 16 C LIG 1 -4.017 3.505 -0.569 0.00 0.00 +0.046 A ATOM 17 C LIG 1 -3.410 2.249 -0.645 0.00 0.00 +0.015 A BRANCH 15 18 ATOM 18 O LIG 1 -5.941 4.861 -0.669 0.00 0.00 -0.507 OA ATOM 19 H LIG 1 -6.898 4.788 -0.816 0.00 0.00 +0.292 HD ENDBRANCH 15 18 ENDBRANCH 6 12 BRANCH 8 20 ATOM 20 O LIG 1 -1.670 -4.870 -1.719 0.00 0.00 -0.506 OA ATOM 21 H LIG 1 -1.115 -5.639 -1.519 0.00 0.00 +0.292 HD ENDBRANCH 8 20 BRANCH 11 22 ATOM 22 O LIG 1 0.013 -3.576 2.534 0.00 0.00 -0.506 OA ATOM 23 H LIG 1 0.286 -4.508 2.500 0.00 0.00 +0.292 HD ENDBRANCH 11 22 BRANCH 1 24 ATOM 24 C LIG 1 -1.155 -0.957 2.407 0.00 0.00 +0.127 C BRANCH 24 28 ATOM 25 N LIG 1 2.496 0.464 0.811 0.00 0.00 -0.327 N ATOM 26 C LIG 1 1.440 1.481 0.948 0.00 0.00 +0.120 C ATOM 27 C LIG 1 0.060 0.809 1.157 0.00 0.00 +0.103 C ATOM 28 N LIG 1 -0.008 -0.043 2.352 0.00 0.00 -0.295 NA ATOM 29 C LIG 1 1.292 -0.635 2.696 0.00 0.00 +0.103 C ATOM 30 C LIG 1 2.269 -0.814 1.511 0.00 0.00 +0.120 C BRANCH 25 35 ATOM 31 C LIG 1 7.359 1.490 -2.062 0.00 0.00 +0.044 C ATOM 32 C LIG 1 6.076 1.222 -1.335 0.00 0.00 -0.050 A ATOM 33 C LIG 1 5.678 -0.083 -1.049 0.00 0.00 +0.005 A ATOM 34 C LIG 1 4.493 -0.326 -0.340 0.00 0.00 +0.023 A ATOM 35 C LIG 1 3.667 0.713 0.117 0.00 0.00 +0.030 A ATOM 36 C LIG 1 4.098 2.017 -0.173 0.00 0.00 +0.023 A ATOM 37 C LIG 1 5.282 2.273 -0.879 0.00 0.00 +0.005 A ENDBRANCH 25 35 ENDBRANCH 24 28 ENDBRANCH 1 24 TORSDOF 7