REMARK Name = BDB064916 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.031 1.750 0.311 0.00 0.00 +0.256 C ATOM 2 N LIG 1 -1.110 1.000 0.746 0.00 0.00 -0.266 N ATOM 3 C LIG 1 -1.948 0.345 -0.262 0.00 0.00 +0.212 C ATOM 4 N LIG 1 -2.728 -0.628 0.482 0.00 0.00 -0.287 N ATOM 5 C LIG 1 -2.315 -0.692 1.796 0.00 0.00 +0.044 A ATOM 6 C LIG 1 -2.847 -1.591 2.635 0.00 0.00 +0.023 A ATOM 7 C LIG 1 -3.855 -2.502 2.144 0.00 0.00 +0.007 A ATOM 8 C LIG 1 -4.213 -2.498 0.851 0.00 0.00 +0.070 A ATOM 9 C LIG 1 -3.583 -1.538 -0.101 0.00 0.00 +0.253 A ATOM 10 O LIG 1 -3.846 -1.606 -1.296 0.00 0.00 -0.268 OA ATOM 11 C LIG 1 -1.227 0.325 2.048 0.00 0.00 +0.122 C ATOM 12 C LIG 1 -1.580 1.253 3.209 0.00 0.00 +0.035 C ATOM 13 O LIG 1 0.076 2.094 -0.874 0.00 0.00 -0.272 OA ENDROOT BRANCH 3 14 ATOM 14 C LIG 1 -2.788 1.292 -1.123 0.00 0.00 -0.001 A ATOM 15 C LIG 1 -3.704 2.251 -0.632 0.00 0.00 -0.044 A ATOM 16 C LIG 1 -3.945 2.475 0.833 0.00 0.00 +0.044 C ATOM 17 C LIG 1 -4.419 3.062 -1.538 0.00 0.00 +0.006 A ATOM 18 C LIG 1 -4.258 2.930 -2.916 0.00 0.00 +0.033 A ATOM 19 C LIG 1 -3.368 1.976 -3.407 0.00 0.00 +0.127 A ATOM 20 C LIG 1 -2.641 1.167 -2.526 0.00 0.00 +0.040 A BRANCH 19 21 ATOM 21 N LIG 1 -3.191 1.826 -4.856 0.00 0.00 +0.056 N ATOM 22 O LIG 1 -2.287 1.080 -5.257 0.00 0.00 -0.126 OA ATOM 23 O LIG 1 -3.954 2.463 -5.598 0.00 0.00 -0.126 OA ENDBRANCH 19 21 ENDBRANCH 3 14 BRANCH 1 24 ATOM 24 C LIG 1 1.006 2.270 1.325 0.00 0.00 +0.326 C BRANCH 24 25 ATOM 25 O LIG 1 1.408 1.487 2.433 0.00 0.00 -0.467 OA BRANCH 25 32 ATOM 26 C LIG 1 4.505 -2.480 -0.857 0.00 0.00 +0.126 A ATOM 27 C LIG 1 3.436 -1.608 -0.549 0.00 0.00 +0.031 A ATOM 28 C LIG 1 3.403 -0.901 0.668 0.00 0.00 +0.082 A ATOM 29 C LIG 1 4.468 -1.099 1.577 0.00 0.00 +0.001 A ATOM 30 C LIG 1 4.453 -0.410 2.796 0.00 0.00 +0.015 A ATOM 31 C LIG 1 3.416 0.464 3.079 0.00 0.00 +0.068 A ATOM 32 C LIG 1 2.437 0.627 2.123 0.00 0.00 +0.216 A ATOM 33 C LIG 1 5.520 -1.970 1.270 0.00 0.00 +0.013 A ATOM 34 N LIG 1 2.384 -0.057 0.962 0.00 0.00 -0.212 NA ATOM 35 C LIG 1 5.539 -2.655 0.059 0.00 0.00 +0.046 A BRANCH 26 37 ATOM 36 C LIG 1 5.572 -3.862 -2.490 0.00 0.00 +0.277 C ATOM 37 O LIG 1 4.435 -3.121 -2.066 0.00 0.00 -0.495 OA ENDBRANCH 26 37 BRANCH 27 38 ATOM 38 C LIG 1 2.290 -1.427 -1.528 0.00 0.00 +0.161 C BRANCH 38 39 ATOM 39 C LIG 1 2.120 -0.006 -2.000 0.00 0.00 +0.309 C ATOM 40 O LIG 1 2.949 0.889 -2.005 0.00 0.00 -0.251 OA BRANCH 39 41 ATOM 41 O LIG 1 0.858 0.209 -2.436 0.00 0.00 -0.480 OA ATOM 42 H LIG 1 0.755 1.191 -2.380 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 38 39 ENDBRANCH 27 38 ENDBRANCH 25 32 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 9