REMARK Name = BDB016670 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.154 2.038 1.322 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -3.163 0.760 1.913 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -1.961 0.048 1.998 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -0.749 0.542 1.536 0.00 0.00 +0.027 A ATOM 5 C LIG 1 0.203 -0.495 1.804 0.00 0.00 +0.102 A ATOM 6 N LIG 1 -0.384 -1.536 2.421 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -0.726 1.834 0.979 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -1.676 -1.188 2.505 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -2.322 -1.842 2.929 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -1.925 2.558 0.883 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -5.083 -0.723 -1.913 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -4.711 0.454 -1.246 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -5.645 1.125 -0.471 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -5.596 2.381 0.353 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -4.431 2.838 1.210 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -7.006 2.532 0.875 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -7.731 1.451 0.404 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -8.710 1.323 0.608 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -7.405 3.442 1.581 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -4.783 3.570 -0.070 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -6.949 0.615 -0.394 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -7.352 -0.536 -1.037 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -6.398 -1.212 -1.804 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -4.379 -2.506 -3.325 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -4.075 -1.299 -2.638 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 1.630 -0.517 1.508 0.00 0.00 +0.021 A ATOM 27 C LIG 1 2.144 0.000 0.330 0.00 0.00 +0.123 A ATOM 28 N LIG 1 3.463 0.018 0.006 0.00 0.00 -0.240 NA ATOM 29 C LIG 1 4.349 -0.526 0.870 0.00 0.00 +0.121 A ATOM 30 C LIG 1 3.907 -1.067 2.079 0.00 0.00 +0.044 A ATOM 31 C LIG 1 2.546 -1.071 2.396 0.00 0.00 +0.015 A BRANCH 29 32 ATOM 32 N LIG 1 5.703 -0.498 0.553 0.00 0.00 -0.313 N ATOM 33 C LIG 1 6.530 -1.678 0.860 0.00 0.00 +0.122 C ATOM 34 C LIG 1 7.372 -2.117 -0.362 0.00 0.00 +0.103 C ATOM 35 N LIG 1 8.255 -1.060 -0.897 0.00 0.00 -0.302 NA ATOM 36 C LIG 1 8.689 -1.391 -2.252 0.00 0.00 +0.105 C ATOM 37 C LIG 1 7.600 0.268 -0.841 0.00 0.00 +0.103 C ATOM 38 C LIG 1 6.064 0.241 -0.667 0.00 0.00 +0.122 C ENDBRANCH 29 32 ENDBRANCH 5 26 TORSDOF 4