REMARK Name = BDB010952 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.892 -0.084 0.492 0.00 0.00 -0.239 N ATOM 2 N LIG 1 0.275 -0.486 1.066 0.00 0.00 -0.166 NA ATOM 3 C LIG 1 1.194 0.422 0.712 0.00 0.00 +0.094 A ATOM 4 C LIG 1 0.582 1.432 -0.102 0.00 0.00 +0.032 A ATOM 5 C LIG 1 1.196 2.552 -0.669 0.00 0.00 +0.066 A ATOM 6 C LIG 1 2.577 2.579 -0.323 0.00 0.00 +0.018 A ATOM 7 C LIG 1 3.246 1.592 0.482 0.00 0.00 -0.031 A ATOM 8 C LIG 1 2.559 0.478 1.031 0.00 0.00 +0.035 A ATOM 9 C LIG 1 -0.738 1.088 -0.220 0.00 0.00 +0.123 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 -4.496 -1.197 0.257 0.00 0.00 -0.032 A ATOM 11 C LIG 1 -3.298 -0.456 0.090 0.00 0.00 +0.032 A ATOM 12 C LIG 1 -2.081 -0.850 0.669 0.00 0.00 +0.066 A ATOM 13 C LIG 1 -2.039 -2.019 1.434 0.00 0.00 +0.028 A ATOM 14 C LIG 1 -3.194 -2.775 1.614 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -4.398 -2.367 1.035 0.00 0.00 +0.005 A BRANCH 10 16 ATOM 16 C LIG 1 -5.871 -0.686 -0.420 0.00 0.00 +0.056 C ATOM 17 C LIG 1 -7.124 -1.630 -0.474 0.00 0.00 +0.022 C ATOM 18 C LIG 1 -6.632 -2.116 -1.858 0.00 0.00 -0.012 C ATOM 19 C LIG 1 -7.701 -2.424 -2.886 0.00 0.00 +0.007 C ATOM 20 C LIG 1 -5.914 -0.752 -1.994 0.00 0.00 +0.022 C BRANCH 16 23 ATOM 21 C LIG 1 -6.703 0.187 2.557 0.00 0.00 +0.151 C ATOM 22 N LIG 1 -6.583 1.067 1.428 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -6.236 0.745 0.145 0.00 0.00 +0.144 A ATOM 24 N LIG 1 -6.202 1.847 -0.575 0.00 0.00 -0.134 NA ATOM 25 N LIG 1 -6.548 2.898 0.240 0.00 0.00 -0.138 NA ATOM 26 C LIG 1 -6.771 2.414 1.440 0.00 0.00 +0.224 A ENDBRANCH 16 23 ENDBRANCH 10 16 ENDBRANCH 1 12 BRANCH 5 27 ATOM 27 C LIG 1 0.550 3.607 -1.511 0.00 0.00 +0.418 C ATOM 28 F LIG 1 -0.383 4.324 -0.828 0.00 0.00 -0.166 F ATOM 29 F LIG 1 1.437 4.521 -1.997 0.00 0.00 -0.166 F ATOM 30 F LIG 1 -0.087 3.097 -2.600 0.00 0.00 -0.166 F ENDBRANCH 5 27 BRANCH 7 31 ATOM 31 C LIG 1 4.729 1.759 0.781 0.00 0.00 +0.119 C BRANCH 31 32 ATOM 32 N LIG 1 5.522 0.575 0.427 0.00 0.00 -0.293 NA ATOM 33 C LIG 1 6.851 0.634 1.075 0.00 0.00 +0.119 C ATOM 34 C LIG 1 7.854 -0.337 0.425 0.00 0.00 +0.082 C ATOM 35 C LIG 1 7.590 -1.850 0.691 0.00 0.00 +0.036 C ATOM 36 C LIG 1 9.105 -2.017 0.905 0.00 0.00 +0.006 C ATOM 37 C LIG 1 9.169 -0.516 1.239 0.00 0.00 +0.036 C ATOM 38 O LIG 1 8.070 0.009 -0.976 0.00 0.00 -0.371 OA ATOM 39 C LIG 1 7.012 0.727 -1.619 0.00 0.00 +0.176 C ATOM 40 C LIG 1 5.638 0.371 -1.033 0.00 0.00 +0.113 C ENDBRANCH 31 32 ENDBRANCH 7 31 TORSDOF 6