REMARK Name = BDB055675 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.363 1.726 -0.055 0.00 0.00 +0.111 A ATOM 2 N LIG 1 -0.694 0.374 0.030 0.00 0.00 -0.316 N ATOM 3 C LIG 1 -1.993 0.313 0.491 0.00 0.00 +0.135 A ATOM 4 C LIG 1 -2.327 1.614 0.749 0.00 0.00 +0.099 A ATOM 5 C LIG 1 -3.602 1.931 1.277 0.00 0.00 -0.007 A ATOM 6 C LIG 1 -4.476 0.930 1.500 0.00 0.00 +0.095 A ATOM 7 N LIG 1 -4.161 -0.406 1.215 0.00 0.00 -0.309 N ATOM 8 C LIG 1 -3.868 3.374 1.552 0.00 0.00 +0.047 C ATOM 9 C LIG 1 -2.900 -0.791 0.698 0.00 0.00 +0.277 A ATOM 10 O LIG 1 -2.609 -1.956 0.439 0.00 0.00 -0.265 OA ATOM 11 N LIG 1 -1.341 2.479 0.427 0.00 0.00 -0.232 NA ENDROOT BRANCH 2 12 ATOM 12 C LIG 1 0.102 -0.792 -0.324 0.00 0.00 +0.120 C ATOM 13 C LIG 1 1.554 -0.748 0.080 0.00 0.00 -0.021 A ATOM 14 C LIG 1 2.355 -1.289 -0.933 0.00 0.00 -0.042 A ATOM 15 C LIG 1 3.727 -1.407 -0.777 0.00 0.00 +0.012 A ATOM 16 C LIG 1 4.319 -0.958 0.417 0.00 0.00 -0.017 A ATOM 17 C LIG 1 3.496 -0.443 1.444 0.00 0.00 +0.009 A ATOM 18 C LIG 1 1.524 -1.759 -2.088 0.00 0.00 +0.038 C ATOM 19 C LIG 1 2.111 -0.347 1.284 0.00 0.00 +0.006 A ATOM 20 C LIG 1 0.195 -1.033 -1.843 0.00 0.00 +0.034 C BRANCH 16 21 ATOM 21 C LIG 1 5.778 -1.017 0.593 0.00 0.00 -0.007 A ATOM 22 C LIG 1 6.619 0.122 0.535 0.00 0.00 +0.028 A ATOM 23 C LIG 1 8.000 -0.048 0.767 0.00 0.00 +0.012 A ATOM 24 C LIG 1 8.548 -1.304 1.030 0.00 0.00 +0.001 A ATOM 25 C LIG 1 7.725 -2.420 1.073 0.00 0.00 +0.001 A ATOM 26 C LIG 1 6.355 -2.277 0.858 0.00 0.00 +0.009 A BRANCH 22 27 ATOM 27 C LIG 1 6.157 1.486 0.246 0.00 0.00 +0.180 A ATOM 28 N LIG 1 5.020 1.837 -0.432 0.00 0.00 -0.239 N ATOM 29 H LIG 1 4.300 1.256 -0.837 0.00 0.00 +0.192 HD ATOM 30 N LIG 1 4.923 3.168 -0.541 0.00 0.00 -0.046 NA ATOM 31 N LIG 1 6.003 3.639 0.060 0.00 0.00 -0.023 NA ATOM 32 N LIG 1 6.780 2.615 0.543 0.00 0.00 -0.108 NA ENDBRANCH 22 27 ENDBRANCH 16 21 ENDBRANCH 2 12 BRANCH 1 34 ATOM 33 C LIG 1 0.741 3.651 -1.224 0.00 0.00 +0.012 C ATOM 34 C LIG 1 0.923 2.277 -0.594 0.00 0.00 +0.071 C ENDBRANCH 1 34 BRANCH 7 35 ATOM 35 C LIG 1 -5.164 -1.444 1.448 0.00 0.00 +0.161 C BRANCH 35 36 ATOM 36 C LIG 1 -6.080 -1.657 0.255 0.00 0.00 -0.010 A ATOM 37 C LIG 1 -7.355 -1.065 0.156 0.00 0.00 +0.057 A ATOM 38 C LIG 1 -8.149 -1.288 -0.981 0.00 0.00 +0.019 A ATOM 39 C LIG 1 -7.687 -2.093 -2.021 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -6.429 -2.681 -1.933 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -5.633 -2.465 -0.807 0.00 0.00 +0.006 A BRANCH 37 42 ATOM 42 C LIG 1 -7.886 -0.233 1.196 0.00 0.00 +0.099 C ATOM 43 N LIG 1 -8.294 0.442 2.048 0.00 0.00 -0.191 NA ENDBRANCH 37 42 ENDBRANCH 35 36 ENDBRANCH 7 35 TORSDOF 7