REMARK Name = BDB034193 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 4.652 -0.705 -0.416 0.00 0.00 -0.282 N ATOM 2 C LIG 1 4.823 0.385 -1.256 0.00 0.00 +0.248 C ATOM 3 O LIG 1 5.814 0.717 -1.875 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 3.555 1.120 -1.260 0.00 0.00 +0.045 A ATOM 5 C LIG 1 2.691 0.503 -0.357 0.00 0.00 -0.014 A ATOM 6 C LIG 1 1.410 0.995 -0.154 0.00 0.00 +0.054 A ATOM 7 C LIG 1 1.011 2.126 -0.878 0.00 0.00 +0.156 A ATOM 8 C LIG 1 1.912 2.723 -1.790 0.00 0.00 +0.166 A ATOM 9 F LIG 1 1.527 3.802 -2.491 0.00 0.00 -0.202 F ATOM 10 C LIG 1 3.198 2.232 -1.991 0.00 0.00 +0.055 A ATOM 11 C LIG 1 3.377 -0.656 0.286 0.00 0.00 +0.144 C ENDROOT BRANCH 1 18 ATOM 12 O LIG 1 9.627 -2.699 0.865 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 8.498 -2.325 0.559 0.00 0.00 +0.219 C ATOM 14 N LIG 1 7.895 -1.286 1.223 0.00 0.00 -0.255 N ATOM 15 H LIG 1 8.447 -0.840 1.943 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 6.596 -0.849 1.105 0.00 0.00 +0.240 C ATOM 17 O LIG 1 6.149 -0.010 1.886 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 5.738 -1.562 0.048 0.00 0.00 +0.163 C ATOM 19 C LIG 1 6.618 -2.107 -1.077 0.00 0.00 +0.041 C ATOM 20 C LIG 1 7.672 -3.032 -0.489 0.00 0.00 +0.098 C ENDBRANCH 1 18 BRANCH 7 21 ATOM 21 O LIG 1 -0.217 2.726 -0.804 0.00 0.00 -0.484 OA BRANCH 21 22 ATOM 22 C LIG 1 -1.143 2.319 0.221 0.00 0.00 +0.191 C ATOM 23 C LIG 1 -2.027 1.144 -0.294 0.00 0.00 +0.097 C ATOM 24 C LIG 1 -2.996 1.627 -1.400 0.00 0.00 +0.022 C ATOM 25 C LIG 1 -3.750 2.923 -1.095 0.00 0.00 +0.002 C ATOM 26 C LIG 1 -2.831 4.028 -0.593 0.00 0.00 +0.004 C ATOM 27 C LIG 1 -1.982 3.553 0.581 0.00 0.00 +0.046 C BRANCH 23 28 ATOM 28 N LIG 1 -2.540 0.394 0.870 0.00 0.00 -0.295 NA ATOM 29 C LIG 1 -3.968 0.569 1.225 0.00 0.00 +0.094 C ATOM 30 C LIG 1 -3.991 -0.947 1.577 0.00 0.00 +0.047 C ATOM 31 C LIG 1 -2.842 -1.023 0.531 0.00 0.00 +0.094 C BRANCH 30 32 ATOM 32 C LIG 1 -5.319 -1.786 1.341 0.00 0.00 -0.042 A ATOM 33 C LIG 1 -5.868 -2.583 2.366 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -7.035 -3.331 2.186 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -7.696 -3.304 0.963 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -7.188 -2.530 -0.073 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -6.019 -1.786 0.117 0.00 0.00 +0.004 A ENDBRANCH 30 32 ENDBRANCH 23 28 ENDBRANCH 21 22 ENDBRANCH 7 21 TORSDOF 5