REMARK Name = BDB055676 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.181 -0.081 -1.879 0.00 0.00 +0.111 A ATOM 2 N LIG 1 -0.474 -0.201 -0.521 0.00 0.00 -0.316 N ATOM 3 C LIG 1 -1.750 0.297 -0.347 0.00 0.00 +0.135 A ATOM 4 C LIG 1 -2.120 0.737 -1.590 0.00 0.00 +0.099 A ATOM 5 C LIG 1 -3.389 1.332 -1.789 0.00 0.00 -0.007 A ATOM 6 C LIG 1 -4.217 1.455 -0.735 0.00 0.00 +0.095 A ATOM 7 N LIG 1 -3.858 1.007 0.543 0.00 0.00 -0.309 N ATOM 8 C LIG 1 -3.704 1.774 -3.180 0.00 0.00 +0.047 C ATOM 9 C LIG 1 -2.614 0.389 0.808 0.00 0.00 +0.277 A ATOM 10 O LIG 1 -2.301 -0.036 1.918 0.00 0.00 -0.265 OA ATOM 11 N LIG 1 -1.172 0.513 -2.526 0.00 0.00 -0.232 NA ENDROOT BRANCH 2 12 ATOM 12 C LIG 1 0.346 -0.757 0.544 0.00 0.00 +0.120 C ATOM 13 C LIG 1 1.753 -0.222 0.613 0.00 0.00 -0.021 A ATOM 14 C LIG 1 2.646 -1.253 0.924 0.00 0.00 -0.042 A ATOM 15 C LIG 1 3.999 -1.003 1.091 0.00 0.00 +0.012 A ATOM 16 C LIG 1 4.477 0.310 0.931 0.00 0.00 -0.017 A ATOM 17 C LIG 1 3.560 1.346 0.646 0.00 0.00 +0.009 A ATOM 18 C LIG 1 1.931 -2.557 1.107 0.00 0.00 +0.038 C ATOM 19 C LIG 1 2.195 1.087 0.495 0.00 0.00 +0.006 A ATOM 20 C LIG 1 0.575 -2.278 0.442 0.00 0.00 +0.034 C BRANCH 16 21 ATOM 21 C LIG 1 5.915 0.600 1.050 0.00 0.00 -0.007 A ATOM 22 C LIG 1 6.877 0.177 0.098 0.00 0.00 +0.028 A ATOM 23 C LIG 1 8.237 0.457 0.337 0.00 0.00 +0.012 A ATOM 24 C LIG 1 8.647 1.157 1.472 0.00 0.00 +0.001 A ATOM 25 C LIG 1 7.705 1.587 2.396 0.00 0.00 +0.001 A ATOM 26 C LIG 1 6.354 1.309 2.188 0.00 0.00 +0.009 A BRANCH 22 27 ATOM 27 C LIG 1 6.550 -0.542 -1.138 0.00 0.00 +0.180 A ATOM 28 N LIG 1 5.384 -0.439 -1.849 0.00 0.00 -0.239 N ATOM 29 H LIG 1 4.559 0.116 -1.664 0.00 0.00 +0.192 HD ATOM 30 N LIG 1 5.423 -1.220 -2.937 0.00 0.00 -0.046 NA ATOM 31 N LIG 1 6.619 -1.786 -2.907 0.00 0.00 -0.023 NA ATOM 32 N LIG 1 7.332 -1.370 -1.809 0.00 0.00 -0.108 NA ENDBRANCH 22 27 ENDBRANCH 16 21 ENDBRANCH 2 12 BRANCH 1 34 ATOM 33 C LIG 1 1.804 0.572 -3.244 0.00 0.00 +0.012 C ATOM 34 C LIG 1 1.056 -0.568 -2.569 0.00 0.00 +0.071 C ENDBRANCH 1 34 BRANCH 7 35 ATOM 35 C LIG 1 -4.816 1.159 1.642 0.00 0.00 +0.160 C BRANCH 35 36 ATOM 36 C LIG 1 -5.987 0.198 1.545 0.00 0.00 -0.025 A ATOM 37 C LIG 1 -7.322 0.632 1.388 0.00 0.00 -0.046 A ATOM 38 C LIG 1 -7.690 2.088 1.316 0.00 0.00 +0.044 C ATOM 39 C LIG 1 -8.348 -0.325 1.306 0.00 0.00 +0.004 A ATOM 40 C LIG 1 -8.068 -1.689 1.382 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -6.757 -2.118 1.548 0.00 0.00 +0.000 A ATOM 42 C LIG 1 -5.727 -1.183 1.631 0.00 0.00 +0.005 A ENDBRANCH 35 36 ENDBRANCH 7 35 TORSDOF 6