REMARK Name = BDB048476 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.611 1.298 -2.093 0.00 0.00 +0.100 A ATOM 2 C LIG 1 0.724 0.783 -2.134 0.00 0.00 +0.029 A ATOM 3 C LIG 1 1.154 1.002 -3.436 0.00 0.00 +0.066 A ATOM 4 C LIG 1 2.425 0.645 -3.889 0.00 0.00 +0.029 A ATOM 5 C LIG 1 3.285 0.031 -2.968 0.00 0.00 +0.025 A ATOM 6 C LIG 1 2.887 -0.229 -1.655 0.00 0.00 +0.036 A ATOM 7 N LIG 1 0.096 1.590 -4.069 0.00 0.00 -0.276 N ATOM 8 H LIG 1 0.041 1.883 -5.037 0.00 0.00 +0.189 HD ATOM 9 C LIG 1 1.603 0.153 -1.229 0.00 0.00 +0.035 A ATOM 10 N LIG 1 -0.977 1.785 -3.289 0.00 0.00 -0.173 NA ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.729 0.898 -0.014 0.00 0.00 +0.034 A ATOM 12 C LIG 1 -2.846 0.875 -1.096 0.00 0.00 +0.033 A ATOM 13 C LIG 1 -1.526 1.335 -0.954 0.00 0.00 +0.004 A ATOM 14 C LIG 1 -1.097 1.836 0.281 0.00 0.00 +0.010 A ATOM 15 C LIG 1 -1.973 1.870 1.364 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.280 1.402 1.215 0.00 0.00 +0.023 A BRANCH 11 18 ATOM 17 C LIG 1 -5.719 -0.128 -1.119 0.00 0.00 +0.241 C ATOM 18 N LIG 1 -5.067 0.449 -0.064 0.00 0.00 -0.282 N ATOM 19 H LIG 1 -5.585 0.566 0.803 0.00 0.00 +0.155 HD ATOM 20 O LIG 1 -5.240 -0.387 -2.220 0.00 0.00 -0.270 OA BRANCH 17 22 ATOM 21 C LIG 1 -8.029 -0.421 0.091 0.00 0.00 +0.096 C ATOM 22 C LIG 1 -7.156 -0.490 -0.925 0.00 0.00 +0.074 C BRANCH 21 24 ATOM 23 O LIG 1 -6.779 0.522 1.919 0.00 0.00 -0.246 OA ATOM 24 C LIG 1 -7.808 0.077 1.451 0.00 0.00 +0.330 C BRANCH 24 25 ATOM 25 O LIG 1 -8.938 -0.020 2.166 0.00 0.00 -0.478 OA ATOM 26 H LIG 1 -8.709 0.331 3.052 0.00 0.00 +0.295 HD ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 17 22 ENDBRANCH 11 18 ENDBRANCH 1 13 BRANCH 6 27 ATOM 27 N LIG 1 3.720 -0.839 -0.696 0.00 0.00 -0.269 N ATOM 28 H LIG 1 3.307 -1.021 0.207 0.00 0.00 +0.156 HD ATOM 29 C LIG 1 4.920 -1.464 -0.900 0.00 0.00 +0.308 C ATOM 30 N LIG 1 5.580 -1.880 0.227 0.00 0.00 -0.269 N ATOM 31 H LIG 1 6.297 -2.559 0.001 0.00 0.00 +0.156 HD ATOM 32 O LIG 1 5.409 -1.747 -1.991 0.00 0.00 -0.252 OA BRANCH 30 33 ATOM 33 C LIG 1 5.511 -1.460 1.568 0.00 0.00 +0.035 A ATOM 34 C LIG 1 4.939 -0.253 1.980 0.00 0.00 +0.023 A ATOM 35 C LIG 1 4.926 0.098 3.334 0.00 0.00 +0.002 A ATOM 36 C LIG 1 5.498 -0.746 4.283 0.00 0.00 +0.000 A ATOM 37 C LIG 1 6.098 -1.935 3.878 0.00 0.00 +0.002 A ATOM 38 C LIG 1 6.113 -2.285 2.525 0.00 0.00 +0.023 A ENDBRANCH 30 33 ENDBRANCH 6 27 TORSDOF 7