REMARK Name = BDB055681 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.233 -1.991 -0.184 0.00 0.00 +0.111 A ATOM 2 N LIG 1 0.382 -0.797 0.192 0.00 0.00 -0.316 N ATOM 3 C LIG 1 1.358 -1.135 1.113 0.00 0.00 +0.135 A ATOM 4 C LIG 1 1.217 -2.485 1.279 0.00 0.00 +0.096 A ATOM 5 C LIG 1 2.050 -3.192 2.169 0.00 0.00 +0.048 A ATOM 6 C LIG 1 2.990 -2.514 2.851 0.00 0.00 +0.091 A ATOM 7 N LIG 1 3.156 -1.132 2.699 0.00 0.00 -0.309 N ATOM 8 C LIG 1 2.361 -0.364 1.813 0.00 0.00 +0.277 A ATOM 9 O LIG 1 2.519 0.844 1.655 0.00 0.00 -0.265 OA ATOM 10 N LIG 1 0.250 -3.015 0.506 0.00 0.00 -0.232 NA ENDROOT BRANCH 2 11 ATOM 11 C LIG 1 0.125 0.565 -0.256 0.00 0.00 +0.120 C ATOM 12 C LIG 1 -1.315 0.988 -0.200 0.00 0.00 -0.021 A ATOM 13 C LIG 1 -1.769 1.397 -1.455 0.00 0.00 -0.042 A ATOM 14 C LIG 1 -3.071 1.839 -1.633 0.00 0.00 +0.012 A ATOM 15 C LIG 1 -3.941 1.876 -0.529 0.00 0.00 -0.017 A ATOM 16 C LIG 1 -3.458 1.489 0.740 0.00 0.00 +0.009 A ATOM 17 C LIG 1 -0.725 1.217 -2.511 0.00 0.00 +0.038 C ATOM 18 C LIG 1 -2.145 1.042 0.910 0.00 0.00 +0.006 A ATOM 19 C LIG 1 0.540 0.873 -1.708 0.00 0.00 +0.034 C BRANCH 15 20 ATOM 20 C LIG 1 -5.346 2.281 -0.699 0.00 0.00 -0.007 A ATOM 21 C LIG 1 -6.302 1.495 -1.391 0.00 0.00 +0.028 A ATOM 22 C LIG 1 -7.608 1.999 -1.549 0.00 0.00 +0.012 A ATOM 23 C LIG 1 -7.980 3.235 -1.020 0.00 0.00 +0.001 A ATOM 24 C LIG 1 -7.049 3.997 -0.326 0.00 0.00 +0.001 A ATOM 25 C LIG 1 -5.746 3.526 -0.170 0.00 0.00 +0.009 A BRANCH 21 26 ATOM 26 C LIG 1 -6.021 0.174 -1.962 0.00 0.00 +0.180 A ATOM 27 N LIG 1 -5.121 -0.740 -1.479 0.00 0.00 -0.239 N ATOM 28 H LIG 1 -4.503 -0.680 -0.681 0.00 0.00 +0.192 HD ATOM 29 N LIG 1 -5.120 -1.845 -2.234 0.00 0.00 -0.046 NA ATOM 30 N LIG 1 -6.036 -1.625 -3.163 0.00 0.00 -0.023 NA ATOM 31 N LIG 1 -6.611 -0.389 -3.002 0.00 0.00 -0.108 NA ENDBRANCH 21 26 ENDBRANCH 15 20 ENDBRANCH 2 11 BRANCH 1 33 ATOM 32 C LIG 1 -0.698 -2.678 -2.535 0.00 0.00 +0.012 C ATOM 33 C LIG 1 -1.288 -2.172 -1.228 0.00 0.00 +0.071 C ENDBRANCH 1 33 BRANCH 7 34 ATOM 34 C LIG 1 4.218 -0.458 3.443 0.00 0.00 +0.160 C BRANCH 34 35 ATOM 35 C LIG 1 5.574 -0.623 2.792 0.00 0.00 -0.027 A ATOM 36 C LIG 1 5.899 0.102 1.634 0.00 0.00 +0.017 A ATOM 37 C LIG 1 7.145 -0.057 1.005 0.00 0.00 +0.055 A ATOM 38 C LIG 1 8.077 -0.943 1.563 0.00 0.00 +0.012 A ATOM 39 C LIG 1 7.764 -1.668 2.713 0.00 0.00 +0.001 A ATOM 40 C LIG 1 6.519 -1.511 3.323 0.00 0.00 +0.005 A BRANCH 37 41 ATOM 41 C LIG 1 7.481 0.742 -0.230 0.00 0.00 +0.417 C ATOM 42 F LIG 1 7.954 1.983 0.069 0.00 0.00 -0.166 F ATOM 43 F LIG 1 6.410 0.936 -1.050 0.00 0.00 -0.166 F ATOM 44 F LIG 1 8.438 0.156 -1.005 0.00 0.00 -0.166 F ENDBRANCH 37 41 ENDBRANCH 34 35 ENDBRANCH 7 34 TORSDOF 7