REMARK Name = BDB002174 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.465 1.232 0.831 0.00 0.00 -0.230 N ATOM 2 H LIG 1 -2.781 1.788 0.041 0.00 0.00 +0.173 HD ATOM 3 C LIG 1 -1.493 0.257 0.746 0.00 0.00 +0.260 C ATOM 4 O LIG 1 -1.223 -0.506 1.672 0.00 0.00 -0.269 OA ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 -0.747 0.176 -0.537 0.00 0.00 +0.039 A ATOM 6 C LIG 1 0.583 -0.265 -0.500 0.00 0.00 +0.020 A ATOM 7 C LIG 1 1.340 -0.358 -1.677 0.00 0.00 -0.010 A ATOM 8 C LIG 1 0.735 -0.025 -2.898 0.00 0.00 +0.007 A ATOM 9 C LIG 1 -0.595 0.397 -2.941 0.00 0.00 +0.001 A ATOM 10 C LIG 1 -1.340 0.496 -1.765 0.00 0.00 +0.013 A BRANCH 7 11 ATOM 11 C LIG 1 2.772 -0.836 -1.635 0.00 0.00 +0.264 C BRANCH 11 12 ATOM 12 O LIG 1 3.598 0.140 -2.270 0.00 0.00 -0.487 OA BRANCH 12 13 ATOM 13 C LIG 1 4.945 -0.105 -2.291 0.00 0.00 +0.121 A ATOM 14 C LIG 1 5.579 -1.242 -1.781 0.00 0.00 +0.049 A ATOM 15 C LIG 1 6.962 -1.323 -1.870 0.00 0.00 -0.041 A ATOM 16 C LIG 1 7.848 -2.445 -1.425 0.00 0.00 +0.036 C ATOM 17 C LIG 1 9.219 -1.753 -1.408 0.00 0.00 +0.009 C ATOM 18 C LIG 1 9.169 -0.651 -2.476 0.00 0.00 +0.036 C ATOM 19 C LIG 1 7.713 -0.306 -2.468 0.00 0.00 -0.044 A ATOM 20 C LIG 1 7.099 0.815 -2.994 0.00 0.00 +0.007 A ATOM 21 C LIG 1 5.708 0.911 -2.896 0.00 0.00 +0.046 A ENDBRANCH 12 13 ENDBRANCH 11 12 ENDBRANCH 7 11 ENDBRANCH 3 5 BRANCH 1 23 ATOM 22 C LIG 1 -4.690 1.396 1.638 0.00 0.00 +0.267 C ATOM 23 N LIG 1 -3.350 1.182 1.918 0.00 0.00 -0.230 N ATOM 24 H LIG 1 -3.099 0.518 2.654 0.00 0.00 +0.173 HD ATOM 25 O LIG 1 -5.072 1.838 0.555 0.00 0.00 -0.268 OA BRANCH 22 27 ATOM 26 C LIG 1 -5.496 -0.135 3.485 0.00 0.00 +0.136 A ATOM 27 C LIG 1 -5.647 1.046 2.727 0.00 0.00 +0.121 A ATOM 28 C LIG 1 -6.736 1.895 2.982 0.00 0.00 +0.136 A ATOM 29 C LIG 1 -7.648 1.597 3.997 0.00 0.00 +0.046 A ATOM 30 C LIG 1 -7.497 0.432 4.744 0.00 0.00 +0.007 A ATOM 31 C LIG 1 -6.428 -0.430 4.490 0.00 0.00 +0.046 A BRANCH 26 33 ATOM 32 C LIG 1 -4.316 -2.193 3.835 0.00 0.00 +0.277 C ATOM 33 O LIG 1 -4.422 -0.932 3.186 0.00 0.00 -0.494 OA ENDBRANCH 26 33 BRANCH 28 34 ATOM 34 O LIG 1 -6.873 3.091 2.325 0.00 0.00 -0.494 OA ATOM 35 C LIG 1 -7.892 3.002 1.328 0.00 0.00 +0.277 C ENDBRANCH 28 34 ENDBRANCH 22 27 ENDBRANCH 1 23 TORSDOF 8