REMARK Name = BDB043740 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.386 0.434 1.375 0.00 0.00 +0.165 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -2.802 0.853 0.938 0.00 0.00 +0.234 C ATOM 3 N LIG 1 -1.601 0.304 0.569 0.00 0.00 -0.302 N ATOM 4 H LIG 1 -1.540 -0.344 -0.212 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 -2.925 1.572 1.928 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 -3.966 0.550 -0.022 0.00 0.00 +0.166 C BRANCH 6 8 ATOM 7 C LIG 1 -5.695 -0.420 1.418 0.00 0.00 +0.401 C ATOM 8 N LIG 1 -5.205 0.653 0.740 0.00 0.00 -0.270 N ATOM 9 H LIG 1 -5.401 1.532 1.200 0.00 0.00 +0.153 HD ATOM 10 O LIG 1 -5.326 -1.578 1.282 0.00 0.00 -0.226 OA BRANCH 7 11 ATOM 11 O LIG 1 -6.638 0.006 2.292 0.00 0.00 -0.451 OA BRANCH 11 13 ATOM 12 C LIG 1 -8.214 -0.405 4.039 0.00 0.00 +0.048 C ATOM 13 C LIG 1 -7.211 -1.034 3.092 0.00 0.00 +0.230 C ENDBRANCH 11 13 ENDBRANCH 7 11 ENDBRANCH 6 8 BRANCH 6 14 ATOM 14 C LIG 1 -3.913 1.552 -1.183 0.00 0.00 +0.067 C BRANCH 14 15 ATOM 15 C LIG 1 -4.808 1.161 -2.335 0.00 0.00 -0.045 A ATOM 16 C LIG 1 -4.321 0.345 -3.365 0.00 0.00 +0.004 A ATOM 17 C LIG 1 -5.150 -0.030 -4.423 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -6.474 0.404 -4.460 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -6.970 1.212 -3.438 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -6.142 1.587 -2.380 0.00 0.00 +0.004 A ENDBRANCH 14 15 ENDBRANCH 6 14 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 21 ATOM 21 C LIG 1 0.815 0.086 0.468 0.00 0.00 +0.234 C ATOM 22 N LIG 1 2.055 0.388 0.997 0.00 0.00 -0.308 N ATOM 23 H LIG 1 2.049 0.996 1.806 0.00 0.00 +0.149 HD ATOM 24 O LIG 1 0.653 -0.355 -0.672 0.00 0.00 -0.274 OA BRANCH 22 25 ATOM 25 C LIG 1 3.262 0.519 0.166 0.00 0.00 +0.102 C BRANCH 25 26 ATOM 26 C LIG 1 3.084 1.692 -0.848 0.00 0.00 +0.146 C BRANCH 26 27 ATOM 27 O LIG 1 2.521 2.806 -0.124 0.00 0.00 -0.389 OA ATOM 28 H LIG 1 2.040 3.355 -0.774 0.00 0.00 +0.210 HD ENDBRANCH 26 27 BRANCH 26 29 ATOM 29 C LIG 1 4.402 2.168 -1.452 0.00 0.00 +0.160 C BRANCH 29 30 ATOM 30 P LIG 1 4.147 3.223 -2.873 0.00 0.00 +0.335 P ATOM 31 O LIG 1 3.364 2.583 -3.978 0.00 0.00 -0.258 OA BRANCH 30 32 ATOM 32 O LIG 1 5.633 3.679 -3.309 0.00 0.00 -0.311 OA ATOM 33 C LIG 1 5.757 4.297 -4.577 0.00 0.00 +0.204 C ENDBRANCH 30 32 BRANCH 30 34 ATOM 34 O LIG 1 3.472 4.582 -2.322 0.00 0.00 -0.311 OA ATOM 35 C LIG 1 4.179 5.407 -1.416 0.00 0.00 +0.204 C ENDBRANCH 30 34 ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 25 26 BRANCH 25 36 ATOM 36 C LIG 1 3.713 -0.803 -0.498 0.00 0.00 +0.028 C BRANCH 36 37 ATOM 37 C LIG 1 4.372 -1.807 0.473 0.00 0.00 -0.009 C ATOM 38 C LIG 1 3.368 -2.414 1.466 0.00 0.00 +0.003 C ATOM 39 C LIG 1 3.786 -3.777 2.027 0.00 0.00 +0.000 C ATOM 40 C LIG 1 5.296 -3.957 2.026 0.00 0.00 +0.000 C ATOM 41 C LIG 1 5.871 -3.859 0.613 0.00 0.00 +0.000 C ATOM 42 C LIG 1 5.080 -2.925 -0.307 0.00 0.00 +0.003 C ENDBRANCH 36 37 ENDBRANCH 25 36 ENDBRANCH 22 25 ENDBRANCH 1 21 BRANCH 1 43 ATOM 43 C LIG 1 -0.423 -0.361 2.686 0.00 0.00 +0.088 C BRANCH 43 44 ATOM 44 C LIG 1 -0.669 -1.821 2.524 0.00 0.00 +0.061 A ATOM 45 N LIG 1 0.355 -2.724 2.671 0.00 0.00 -0.241 NA ATOM 46 C LIG 1 -0.184 -3.907 2.484 0.00 0.00 +0.196 A ATOM 47 N LIG 1 -1.523 -3.811 2.236 0.00 0.00 -0.351 N ATOM 48 H LIG 1 -2.155 -4.581 2.064 0.00 0.00 +0.166 HD ATOM 49 C LIG 1 -1.852 -2.485 2.274 0.00 0.00 +0.107 A ENDBRANCH 43 44 ENDBRANCH 1 43 TORSDOF 19