REMARK Name = BDB054886 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.717 -1.978 0.303 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -0.539 -1.716 -0.400 0.00 0.00 +0.028 A ATOM 3 C LIG 1 0.336 -2.757 -0.765 0.00 0.00 -0.029 A ATOM 4 C LIG 1 0.001 -4.075 -0.433 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -1.178 -4.347 0.259 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -2.031 -3.304 0.624 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -2.523 0.382 0.560 0.00 0.00 +0.249 C ATOM 8 N LIG 1 -2.634 -0.986 0.709 0.00 0.00 -0.281 N ATOM 9 H LIG 1 -3.474 -1.331 1.168 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 -1.565 0.984 0.086 0.00 0.00 -0.270 OA BRANCH 7 15 ATOM 11 C LIG 1 -8.488 1.404 1.796 0.00 0.00 +0.173 C ATOM 12 N LIG 1 -7.176 0.954 1.394 0.00 0.00 -0.265 N ATOM 13 C LIG 1 -5.984 1.610 1.582 0.00 0.00 +0.071 A ATOM 14 C LIG 1 -5.010 0.776 1.021 0.00 0.00 +0.053 A ATOM 15 C LIG 1 -3.657 1.186 1.087 0.00 0.00 +0.050 A ATOM 16 C LIG 1 -3.350 2.431 1.672 0.00 0.00 +0.014 A ATOM 17 C LIG 1 -4.346 3.242 2.209 0.00 0.00 +0.003 A ATOM 18 C LIG 1 -5.760 -0.317 0.498 0.00 0.00 +0.147 A ATOM 19 C LIG 1 -5.682 2.843 2.180 0.00 0.00 +0.028 A ATOM 20 N LIG 1 -7.060 -0.211 0.739 0.00 0.00 -0.156 NA BRANCH 18 21 ATOM 21 N LIG 1 -5.255 -1.365 -0.175 0.00 0.00 -0.341 N ATOM 22 H LIG 1 -4.454 -1.206 -0.784 0.00 0.00 +0.144 HD ATOM 23 H LIG 1 -5.964 -1.915 -0.655 0.00 0.00 +0.144 HD ENDBRANCH 18 21 ENDBRANCH 7 15 ENDBRANCH 1 8 BRANCH 3 24 ATOM 24 C LIG 1 1.600 -2.458 -1.530 0.00 0.00 +0.141 C BRANCH 24 25 ATOM 25 N LIG 1 2.398 -1.456 -0.860 0.00 0.00 -0.295 N ATOM 26 H LIG 1 2.401 -1.500 0.148 0.00 0.00 +0.151 HD ATOM 27 C LIG 1 3.576 -1.032 -1.438 0.00 0.00 +0.304 C ATOM 28 N LIG 1 4.196 -0.098 -0.638 0.00 0.00 -0.269 N ATOM 29 H LIG 1 3.606 0.298 0.080 0.00 0.00 +0.156 HD ATOM 30 O LIG 1 3.964 -1.450 -2.521 0.00 0.00 -0.252 OA BRANCH 28 31 ATOM 31 C LIG 1 5.449 0.511 -0.838 0.00 0.00 +0.035 A ATOM 32 C LIG 1 6.354 0.118 -1.824 0.00 0.00 +0.024 A ATOM 33 C LIG 1 7.588 0.768 -1.958 0.00 0.00 +0.014 A ATOM 34 C LIG 1 7.936 1.826 -1.107 0.00 0.00 +0.055 A ATOM 35 C LIG 1 7.032 2.208 -0.107 0.00 0.00 +0.014 A ATOM 36 C LIG 1 5.800 1.558 0.023 0.00 0.00 +0.024 A BRANCH 34 37 ATOM 37 C LIG 1 9.274 2.511 -1.238 0.00 0.00 +0.417 C ATOM 38 F LIG 1 9.768 2.491 -2.508 0.00 0.00 -0.166 F ATOM 39 F LIG 1 9.237 3.825 -0.877 0.00 0.00 -0.166 F ATOM 40 F LIG 1 10.229 1.937 -0.455 0.00 0.00 -0.166 F ENDBRANCH 34 37 ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 3 24 TORSDOF 7