REMARK Name = BDB026795 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.357 -0.386 0.119 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.392 -1.781 0.733 0.00 0.00 -0.023 A ATOM 3 C LIG 1 0.012 -1.979 2.063 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.004 -3.256 2.628 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.411 -4.351 1.868 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.796 -4.172 0.541 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.781 -2.897 -0.026 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 N LIG 1 0.801 -0.300 -0.808 0.00 0.00 -0.303 NA ATOM 9 H LIG 1 1.619 -0.677 -0.328 0.00 0.00 +0.123 HD BRANCH 8 10 ATOM 10 C LIG 1 1.085 1.078 -1.226 0.00 0.00 +0.086 C BRANCH 10 11 ATOM 11 C LIG 1 2.331 1.151 -2.124 0.00 0.00 +0.050 C BRANCH 11 15 ATOM 12 C LIG 1 5.975 0.253 -0.009 0.00 0.00 +0.105 A ATOM 13 C LIG 1 5.362 -0.737 -0.781 0.00 0.00 +0.029 A ATOM 14 C LIG 1 4.188 -0.438 -1.474 0.00 0.00 +0.005 A ATOM 15 C LIG 1 3.618 0.841 -1.393 0.00 0.00 -0.046 A ATOM 16 C LIG 1 4.239 1.820 -0.603 0.00 0.00 +0.005 A ATOM 17 C LIG 1 5.414 1.528 0.091 0.00 0.00 +0.029 A BRANCH 12 18 ATOM 18 S LIG 1 7.442 -0.132 0.899 0.00 0.00 +0.056 S ATOM 19 O LIG 1 7.506 -1.558 1.120 0.00 0.00 -0.153 OA ATOM 20 O LIG 1 7.603 0.823 1.971 0.00 0.00 -0.153 OA BRANCH 18 21 ATOM 21 N LIG 1 8.646 0.219 -0.216 0.00 0.00 -0.204 NA ATOM 22 H LIG 1 9.232 0.978 0.133 0.00 0.00 +0.144 HD ATOM 23 H LIG 1 9.163 -0.629 -0.447 0.00 0.00 +0.144 HD ENDBRANCH 18 21 ENDBRANCH 12 18 ENDBRANCH 11 15 ENDBRANCH 10 11 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 C LIG 1 -1.707 -0.041 -0.581 0.00 0.00 +0.186 C ATOM 25 O LIG 1 -1.848 -0.129 -1.804 0.00 0.00 -0.290 OA BRANCH 24 26 ATOM 26 C LIG 1 -2.836 0.400 0.260 0.00 0.00 +0.044 A ATOM 27 C LIG 1 -4.138 0.813 -0.191 0.00 0.00 +0.010 A ATOM 28 C LIG 1 -4.894 1.142 0.935 0.00 0.00 +0.048 A ATOM 29 C LIG 1 -6.220 1.588 0.860 0.00 0.00 +0.038 A ATOM 30 C LIG 1 -6.814 1.702 -0.410 0.00 0.00 +0.057 A ATOM 31 C LIG 1 -6.072 1.385 -1.554 0.00 0.00 +0.013 A ATOM 32 N LIG 1 -4.095 0.936 2.032 0.00 0.00 -0.360 N ATOM 33 H LIG 1 -4.386 1.084 2.989 0.00 0.00 +0.165 HD ATOM 34 C LIG 1 -4.747 0.941 -1.458 0.00 0.00 +0.011 A ATOM 35 C LIG 1 -2.857 0.497 1.641 0.00 0.00 +0.095 A BRANCH 30 36 ATOM 36 C LIG 1 -8.234 2.199 -0.539 0.00 0.00 +0.417 C ATOM 37 F LIG 1 -9.011 1.881 0.536 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -8.299 3.555 -0.654 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -8.885 1.699 -1.626 0.00 0.00 -0.166 F ENDBRANCH 30 36 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 10