REMARK Name = BDB047056 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.764 0.929 1.755 0.00 0.00 +0.263 C ATOM 2 N LIG 1 1.424 1.331 1.511 0.00 0.00 -0.280 N ATOM 3 C LIG 1 0.960 2.651 1.566 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -0.347 2.666 1.078 0.00 0.00 +0.008 A ATOM 5 C LIG 1 -1.027 3.906 0.971 0.00 0.00 +0.056 A ATOM 6 C LIG 1 -0.395 5.094 1.348 0.00 0.00 +0.131 A ATOM 7 C LIG 1 0.910 5.049 1.830 0.00 0.00 +0.048 A ATOM 8 C LIG 1 -0.721 1.318 0.787 0.00 0.00 -0.014 A ATOM 9 C LIG 1 1.607 3.842 1.941 0.00 0.00 +0.030 A ATOM 10 C LIG 1 0.342 0.512 1.183 0.00 0.00 +0.028 A ATOM 11 C LIG 1 0.362 -0.978 1.300 0.00 0.00 +0.064 C ATOM 12 O LIG 1 3.445 1.615 2.517 0.00 0.00 -0.267 OA ENDROOT BRANCH 1 16 ATOM 13 C LIG 1 4.755 -2.421 -0.030 0.00 0.00 +0.120 A ATOM 14 C LIG 1 4.985 -2.091 1.307 0.00 0.00 +0.046 A ATOM 15 C LIG 1 4.327 -0.999 1.884 0.00 0.00 +0.017 A ATOM 16 C LIG 1 3.424 -0.242 1.129 0.00 0.00 +0.040 A ATOM 17 C LIG 1 3.211 -0.553 -0.217 0.00 0.00 +0.017 A ATOM 18 C LIG 1 3.869 -1.646 -0.785 0.00 0.00 +0.046 A BRANCH 13 20 ATOM 19 C LIG 1 6.243 -4.276 0.008 0.00 0.00 +0.277 C ATOM 20 O LIG 1 5.330 -3.457 -0.712 0.00 0.00 -0.495 OA ENDBRANCH 13 20 ENDBRANCH 1 16 BRANCH 6 21 ATOM 21 O LIG 1 -0.933 6.349 1.295 0.00 0.00 -0.406 OA BRANCH 21 22 ATOM 22 C LIG 1 -2.247 6.484 0.786 0.00 0.00 +0.575 C ATOM 23 F LIG 1 -3.139 5.817 1.551 0.00 0.00 -0.133 F ATOM 24 F LIG 1 -2.585 7.793 0.796 0.00 0.00 -0.133 F ATOM 25 F LIG 1 -2.327 6.041 -0.487 0.00 0.00 -0.133 F ENDBRANCH 21 22 ENDBRANCH 6 21 BRANCH 8 26 ATOM 26 C LIG 1 -2.048 0.868 0.245 0.00 0.00 +0.076 C BRANCH 26 27 ATOM 27 C LIG 1 -1.823 0.531 -1.213 0.00 0.00 -0.001 A ATOM 28 C LIG 1 -1.827 -0.796 -1.677 0.00 0.00 +0.126 A ATOM 29 C LIG 1 -1.554 -1.079 -3.017 0.00 0.00 +0.046 A ATOM 30 C LIG 1 -1.341 -0.042 -3.925 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -1.383 1.279 -3.493 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -1.618 1.564 -2.147 0.00 0.00 +0.007 A BRANCH 28 33 ATOM 33 O LIG 1 -2.026 -1.803 -0.772 0.00 0.00 -0.475 OA BRANCH 33 34 ATOM 34 C LIG 1 -3.213 -2.607 -0.923 0.00 0.00 +0.200 C ATOM 35 C LIG 1 -4.459 -1.794 -1.318 0.00 0.00 +0.067 C ATOM 36 C LIG 1 -3.448 -3.192 0.481 0.00 0.00 +0.067 C BRANCH 34 37 ATOM 37 C LIG 1 -2.999 -3.816 -1.852 0.00 0.00 +0.348 C ATOM 38 O LIG 1 -1.934 -4.266 -2.247 0.00 0.00 -0.247 OA BRANCH 37 39 ATOM 39 O LIG 1 -4.144 -4.444 -2.200 0.00 0.00 -0.478 OA ATOM 40 H LIG 1 -3.840 -5.193 -2.757 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 34 37 ENDBRANCH 33 34 ENDBRANCH 28 33 ENDBRANCH 26 27 ENDBRANCH 8 26 TORSDOF 10