REMARK Name = BDB064910 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.366 0.898 -3.013 0.00 0.00 +0.201 C ATOM 2 N LIG 1 -0.917 0.128 -1.873 0.00 0.00 -0.264 N ATOM 3 C LIG 1 0.432 -0.156 -1.756 0.00 0.00 +0.256 C ATOM 4 O LIG 1 1.258 0.307 -2.549 0.00 0.00 -0.272 OA ATOM 5 C LIG 1 -2.011 -0.658 -1.296 0.00 0.00 +0.161 C ATOM 6 C LIG 1 -2.305 -0.374 0.167 0.00 0.00 +0.038 C ATOM 7 C LIG 1 -3.195 -0.264 -2.177 0.00 0.00 +0.237 C ATOM 8 O LIG 1 -4.321 -0.735 -2.097 0.00 0.00 -0.274 OA ATOM 9 N LIG 1 -2.781 0.687 -3.089 0.00 0.00 -0.280 N ATOM 10 C LIG 1 -3.557 1.067 -4.246 0.00 0.00 +0.134 C ENDROOT BRANCH 1 12 ATOM 11 C LIG 1 -1.435 3.276 -1.992 0.00 0.00 +0.169 A ATOM 12 C LIG 1 -0.966 2.364 -2.960 0.00 0.00 +0.038 A ATOM 13 C LIG 1 -0.037 2.830 -3.913 0.00 0.00 +0.043 A ATOM 14 C LIG 1 0.423 4.151 -3.872 0.00 0.00 +0.130 A ATOM 15 C LIG 1 -0.012 5.034 -2.878 0.00 0.00 +0.082 A ATOM 16 C LIG 1 -0.927 4.594 -1.920 0.00 0.00 +0.164 A BRANCH 14 17 ATOM 17 N LIG 1 1.386 4.612 -4.878 0.00 0.00 +0.057 N ATOM 18 O LIG 1 1.532 3.920 -5.895 0.00 0.00 -0.126 OA ATOM 19 O LIG 1 1.982 5.676 -4.657 0.00 0.00 -0.126 OA ENDBRANCH 14 17 BRANCH 16 20 ATOM 20 O LIG 1 -1.372 5.366 -0.877 0.00 0.00 -0.491 OA ATOM 21 C LIG 1 -0.730 6.614 -0.650 0.00 0.00 +0.277 C ENDBRANCH 16 20 BRANCH 11 22 ATOM 22 O LIG 1 -2.337 2.825 -1.056 0.00 0.00 -0.488 OA BRANCH 22 24 ATOM 23 C LIG 1 -4.604 2.738 -0.292 0.00 0.00 +0.048 C ATOM 24 C LIG 1 -3.624 3.437 -1.216 0.00 0.00 +0.226 C ENDBRANCH 22 24 ENDBRANCH 11 22 ENDBRANCH 1 12 BRANCH 3 25 ATOM 25 C LIG 1 0.901 -1.021 -0.589 0.00 0.00 +0.326 C BRANCH 25 26 ATOM 26 O LIG 1 0.409 -2.347 -0.730 0.00 0.00 -0.467 OA BRANCH 26 27 ATOM 27 C LIG 1 0.788 -3.173 0.306 0.00 0.00 +0.216 A ATOM 28 N LIG 1 1.435 -2.657 1.368 0.00 0.00 -0.212 NA ATOM 29 C LIG 1 1.799 -3.473 2.377 0.00 0.00 +0.083 A ATOM 30 C LIG 1 1.511 -4.856 2.355 0.00 0.00 +0.018 A ATOM 31 C LIG 1 1.924 -5.663 3.441 0.00 0.00 +0.064 A ATOM 32 C LIG 1 2.619 -5.108 4.522 0.00 0.00 +0.065 A ATOM 33 C LIG 1 2.912 -3.748 4.541 0.00 0.00 +0.127 A ATOM 34 C LIG 1 0.817 -5.352 1.228 0.00 0.00 +0.016 A ATOM 35 C LIG 1 2.483 -2.932 3.476 0.00 0.00 +0.031 A ATOM 36 C LIG 1 0.451 -4.502 0.192 0.00 0.00 +0.068 A BRANCH 33 37 ATOM 37 O LIG 1 3.593 -3.118 5.548 0.00 0.00 -0.495 OA ATOM 38 C LIG 1 4.246 -3.933 6.516 0.00 0.00 +0.277 C ENDBRANCH 33 37 BRANCH 31 39 ATOM 39 C LIG 1 1.649 -7.072 3.475 0.00 0.00 +0.100 C ATOM 40 N LIG 1 1.423 -8.210 3.507 0.00 0.00 -0.191 NA ENDBRANCH 31 39 BRANCH 35 41 ATOM 41 C LIG 1 2.814 -1.448 3.463 0.00 0.00 +0.161 C BRANCH 41 42 ATOM 42 C LIG 1 3.997 -1.132 2.584 0.00 0.00 +0.309 C ATOM 43 O LIG 1 4.856 -1.897 2.177 0.00 0.00 -0.251 OA BRANCH 42 44 ATOM 44 O LIG 1 4.070 0.183 2.284 0.00 0.00 -0.480 OA ATOM 45 H LIG 1 4.871 0.248 1.723 0.00 0.00 +0.295 HD ENDBRANCH 42 44 ENDBRANCH 41 42 ENDBRANCH 35 41 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 3 25 TORSDOF 13