REMARK Name = BDB035231 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.993 -3.130 -0.349 0.00 0.00 +0.086 C ATOM 2 C LIG 1 4.432 -2.196 0.698 0.00 0.00 +0.111 A ATOM 3 N LIG 1 4.023 -0.930 0.333 0.00 0.00 -0.284 N ATOM 4 C LIG 1 3.682 0.002 1.317 0.00 0.00 +0.264 A ATOM 5 O LIG 1 3.532 1.201 1.077 0.00 0.00 -0.267 OA ATOM 6 C LIG 1 3.503 -0.500 2.697 0.00 0.00 +0.086 A ATOM 7 C LIG 1 3.837 -1.837 2.912 0.00 0.00 +0.080 A ATOM 8 C LIG 1 3.655 -2.392 4.180 0.00 0.00 +0.029 A ATOM 9 C LIG 1 3.139 -1.625 5.221 0.00 0.00 +0.004 A ATOM 10 C LIG 1 2.801 -0.290 4.998 0.00 0.00 +0.024 A ATOM 11 C LIG 1 2.971 0.300 3.737 0.00 0.00 +0.042 A ATOM 12 N LIG 1 4.352 -2.656 1.904 0.00 0.00 -0.234 NA ENDROOT BRANCH 3 13 ATOM 13 C LIG 1 4.075 -0.442 -1.059 0.00 0.00 +0.178 C ATOM 14 C LIG 1 5.267 0.503 -1.252 0.00 0.00 +0.242 C ATOM 15 O LIG 1 6.338 0.363 -0.663 0.00 0.00 -0.273 OA ATOM 16 N LIG 1 5.127 1.460 -2.231 0.00 0.00 -0.255 N ATOM 17 H LIG 1 5.925 2.065 -2.371 0.00 0.00 +0.158 HD ATOM 18 C LIG 1 4.112 1.587 -3.145 0.00 0.00 +0.219 C ATOM 19 O LIG 1 4.197 2.380 -4.078 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 2.945 0.637 -3.002 0.00 0.00 +0.099 C ATOM 21 C LIG 1 2.769 0.188 -1.559 0.00 0.00 +0.044 C ENDBRANCH 3 13 BRANCH 11 22 ATOM 22 N LIG 1 2.625 1.650 3.550 0.00 0.00 -0.343 N ATOM 23 H LIG 1 2.931 1.971 2.621 0.00 0.00 +0.146 HD BRANCH 22 24 ATOM 24 C LIG 1 1.249 2.058 3.840 0.00 0.00 +0.101 C BRANCH 24 25 ATOM 25 C LIG 1 0.387 2.095 2.571 0.00 0.00 +0.019 C BRANCH 25 26 ATOM 26 C LIG 1 -0.109 0.714 2.133 0.00 0.00 +0.003 C BRANCH 26 27 ATOM 27 C LIG 1 -0.776 0.713 0.752 0.00 0.00 +0.015 C BRANCH 27 28 ATOM 28 C LIG 1 -2.082 1.511 0.704 0.00 0.00 +0.081 C BRANCH 28 29 ATOM 29 N LIG 1 -2.685 1.576 -0.629 0.00 0.00 -0.313 NA ATOM 30 H LIG 1 -3.480 2.213 -0.592 0.00 0.00 +0.122 HD BRANCH 29 31 ATOM 31 C LIG 1 -3.095 0.292 -1.216 0.00 0.00 +0.060 C ATOM 32 C LIG 1 -3.639 0.526 -2.657 0.00 0.00 +0.007 C ATOM 33 C LIG 1 -4.978 1.291 -2.635 0.00 0.00 +0.008 C ATOM 34 C LIG 1 -6.022 0.506 -1.823 0.00 0.00 -0.010 C ATOM 35 C LIG 1 -6.242 -0.865 -2.486 0.00 0.00 +0.007 C ATOM 36 C LIG 1 -4.919 -1.648 -2.525 0.00 0.00 -0.010 C ATOM 37 C LIG 1 -4.412 -1.847 -1.087 0.00 0.00 +0.008 C ATOM 38 C LIG 1 -5.507 0.295 -0.388 0.00 0.00 +0.008 C ATOM 39 C LIG 1 -3.877 -0.846 -3.323 0.00 0.00 +0.008 C ATOM 40 C LIG 1 -4.175 -0.481 -0.409 0.00 0.00 +0.007 C ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 22 24 ENDBRANCH 11 22 TORSDOF 9