REMARK Name = BDB010560 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.328 -0.102 0.663 0.00 0.00 -0.308 N ATOM 2 C LIG 1 -0.735 -0.730 1.276 0.00 0.00 +0.115 A ATOM 3 C LIG 1 -0.253 -1.028 2.541 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -0.979 -1.603 3.514 0.00 0.00 -0.203 NA ATOM 5 C LIG 1 -2.239 -1.858 3.129 0.00 0.00 +0.202 A ATOM 6 N LIG 1 -2.800 -1.627 1.928 0.00 0.00 -0.222 NA ATOM 7 N LIG 1 1.058 -0.687 2.681 0.00 0.00 -0.194 NA ATOM 8 C LIG 1 -2.044 -1.068 0.955 0.00 0.00 +0.101 A ATOM 9 C LIG 1 1.409 -0.189 1.520 0.00 0.00 +0.201 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.096 -2.479 4.165 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -2.579 -2.733 5.378 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -1.640 -2.548 5.691 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -3.554 -3.287 6.109 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -3.461 -3.655 7.269 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -4.684 -3.372 5.333 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -4.337 -2.826 4.054 0.00 0.00 -0.051 NA ENDBRANCH 5 10 BRANCH 8 17 ATOM 17 C LIG 1 -2.683 -0.886 -0.341 0.00 0.00 +0.004 A ATOM 18 C LIG 1 -2.236 -1.581 -1.478 0.00 0.00 +0.016 A ATOM 19 C LIG 1 -2.830 -1.389 -2.737 0.00 0.00 -0.020 A ATOM 20 C LIG 1 -3.902 -0.496 -2.849 0.00 0.00 +0.026 A ATOM 21 C LIG 1 -4.375 0.173 -1.722 0.00 0.00 +0.042 A ATOM 22 CL LIG 1 -5.696 1.265 -1.873 0.00 0.00 -0.084 Cl ATOM 23 C LIG 1 -3.781 -0.024 -0.477 0.00 0.00 +0.030 A BRANCH 19 24 ATOM 24 C LIG 1 -2.304 -2.119 -3.939 0.00 0.00 +0.191 C BRANCH 24 25 ATOM 25 O LIG 1 -1.014 -1.611 -4.247 0.00 0.00 -0.390 OA ATOM 26 H LIG 1 -0.728 -2.059 -5.060 0.00 0.00 +0.210 HD ENDBRANCH 24 25 ENDBRANCH 19 24 ENDBRANCH 8 17 BRANCH 9 27 ATOM 27 N LIG 1 2.651 0.213 1.133 0.00 0.00 -0.289 N ATOM 28 C LIG 1 3.599 -0.879 0.716 0.00 0.00 +0.132 C ATOM 29 C LIG 1 4.222 -1.576 1.953 0.00 0.00 +0.187 C ATOM 30 O LIG 1 4.918 -0.624 2.780 0.00 0.00 -0.376 OA ATOM 31 C LIG 1 3.997 0.370 3.258 0.00 0.00 +0.179 C ATOM 32 C LIG 1 3.328 1.124 2.096 0.00 0.00 +0.136 C BRANCH 28 33 ATOM 33 C LIG 1 2.988 -1.821 -0.317 0.00 0.00 -0.025 A ATOM 34 C LIG 1 3.069 -1.492 -1.681 0.00 0.00 +0.005 A ATOM 35 C LIG 1 2.478 -2.305 -2.650 0.00 0.00 +0.000 A ATOM 36 C LIG 1 1.800 -3.461 -2.272 0.00 0.00 +0.000 A ATOM 37 C LIG 1 1.710 -3.804 -0.925 0.00 0.00 +0.000 A ATOM 38 C LIG 1 2.297 -2.990 0.046 0.00 0.00 +0.005 A ENDBRANCH 28 33 ENDBRANCH 9 27 BRANCH 1 39 ATOM 39 C LIG 1 0.333 0.570 -0.626 0.00 0.00 +0.128 C BRANCH 39 44 ATOM 40 C LIG 1 -0.437 5.790 -2.256 0.00 0.00 +0.007 C ATOM 41 C LIG 1 0.395 4.662 -1.644 0.00 0.00 -0.014 C ATOM 42 C LIG 1 0.374 3.402 -2.530 0.00 0.00 +0.003 C ATOM 43 C LIG 1 -0.677 2.396 -2.073 0.00 0.00 +0.005 C ATOM 44 C LIG 1 -0.433 1.908 -0.630 0.00 0.00 +0.009 C ATOM 45 C LIG 1 0.293 2.965 0.227 0.00 0.00 +0.005 C ATOM 46 C LIG 1 -0.074 4.379 -0.206 0.00 0.00 +0.003 C ENDBRANCH 39 44 ENDBRANCH 1 39 TORSDOF 8