REMARK Name = BDB009947 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.683 -1.063 0.718 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.471 -1.726 0.551 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.242 -2.924 1.204 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -1.002 -3.412 0.933 0.00 0.00 -0.208 NA ATOM 5 C LIG 1 -1.566 -2.543 0.116 0.00 0.00 +0.144 A ATOM 6 N LIG 1 1.132 -3.533 1.998 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 2.286 -2.859 2.088 0.00 0.00 +0.242 A ATOM 8 N LIG 1 -0.680 -1.518 -0.178 0.00 0.00 -0.315 N ATOM 9 N LIG 1 2.593 -1.680 1.495 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -2.909 -2.700 -0.444 0.00 0.00 +0.019 A ATOM 11 C LIG 1 -3.897 -1.724 -0.263 0.00 0.00 +0.030 A ATOM 12 C LIG 1 -5.172 -1.894 -0.817 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -5.469 -3.054 -1.539 0.00 0.00 +0.019 A ATOM 14 C LIG 1 -4.499 -4.043 -1.698 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -3.228 -3.868 -1.149 0.00 0.00 +0.011 A BRANCH 12 16 ATOM 16 C LIG 1 -6.168 -0.877 -0.645 0.00 0.00 +0.099 C ATOM 17 N LIG 1 -6.964 -0.044 -0.515 0.00 0.00 -0.191 NA ENDBRANCH 12 16 ENDBRANCH 5 10 BRANCH 1 18 ATOM 18 N LIG 1 1.970 0.160 0.128 0.00 0.00 -0.324 N ATOM 19 H LIG 1 1.167 0.766 0.018 0.00 0.00 +0.148 HD BRANCH 18 21 ATOM 20 C LIG 1 2.910 1.600 1.877 0.00 0.00 +0.028 C ATOM 21 C LIG 1 3.179 0.871 0.557 0.00 0.00 +0.072 C BRANCH 21 22 ATOM 22 C LIG 1 3.546 1.905 -0.525 0.00 0.00 +0.009 C ATOM 23 C LIG 1 3.988 1.329 -1.901 0.00 0.00 +0.005 C ATOM 24 C LIG 1 5.448 1.472 -1.436 0.00 0.00 +0.001 C ATOM 25 C LIG 1 4.963 2.541 -0.439 0.00 0.00 +0.005 C ENDBRANCH 21 22 ENDBRANCH 18 21 ENDBRANCH 1 18 BRANCH 7 26 ATOM 26 C LIG 1 3.347 -3.487 2.954 0.00 0.00 +0.375 C ATOM 27 O LIG 1 3.272 -4.546 3.556 0.00 0.00 -0.242 OA BRANCH 26 28 ATOM 28 O LIG 1 4.480 -2.750 3.036 0.00 0.00 -0.475 OA ATOM 29 H LIG 1 5.060 -3.283 3.618 0.00 0.00 +0.296 HD ENDBRANCH 26 28 ENDBRANCH 7 26 BRANCH 8 30 ATOM 30 C LIG 1 -0.865 -0.511 -1.216 0.00 0.00 +0.159 C BRANCH 30 31 ATOM 31 C LIG 1 -1.529 0.764 -0.740 0.00 0.00 -0.028 A ATOM 32 C LIG 1 -1.491 1.214 0.588 0.00 0.00 +0.006 A ATOM 33 C LIG 1 -2.107 2.415 0.955 0.00 0.00 +0.013 A ATOM 34 C LIG 1 -2.774 3.198 0.004 0.00 0.00 +0.055 A ATOM 35 C LIG 1 -2.797 2.764 -1.327 0.00 0.00 +0.013 A ATOM 36 C LIG 1 -2.180 1.565 -1.693 0.00 0.00 +0.006 A BRANCH 34 37 ATOM 37 C LIG 1 -3.415 4.506 0.403 0.00 0.00 +0.417 C ATOM 38 F LIG 1 -2.516 5.529 0.426 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -3.970 4.469 1.646 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -4.408 4.900 -0.441 0.00 0.00 -0.166 F ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 8 30 TORSDOF 10