REMARK Name = BDB055729 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.610 -0.259 0.906 0.00 0.00 +0.163 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.472 -0.329 -0.378 0.00 0.00 +0.236 C ATOM 3 N LIG 1 2.814 -0.698 -0.256 0.00 0.00 -0.296 N ATOM 4 C LIG 1 3.593 -0.794 -1.490 0.00 0.00 +0.113 C ATOM 5 C LIG 1 5.067 -0.460 -1.255 0.00 0.00 +0.054 C ATOM 6 C LIG 1 5.612 -1.175 -0.046 0.00 0.00 -0.041 C ATOM 7 C LIG 1 4.774 -1.649 0.896 0.00 0.00 -0.004 C ATOM 8 C LIG 1 3.280 -1.518 0.861 0.00 0.00 +0.135 C ATOM 9 O LIG 1 0.986 0.003 -1.466 0.00 0.00 -0.274 OA BRANCH 6 10 ATOM 10 C LIG 1 7.076 -1.321 0.078 0.00 0.00 -0.022 A ATOM 11 C LIG 1 7.927 -0.240 -0.202 0.00 0.00 +0.011 A ATOM 12 C LIG 1 9.314 -0.379 -0.099 0.00 0.00 +0.039 A ATOM 13 C LIG 1 9.855 -1.601 0.277 0.00 0.00 +0.123 A ATOM 14 F LIG 1 11.184 -1.733 0.374 0.00 0.00 -0.205 F ATOM 15 C LIG 1 9.036 -2.688 0.552 0.00 0.00 +0.039 A ATOM 16 C LIG 1 7.650 -2.549 0.451 0.00 0.00 +0.011 A ENDBRANCH 6 10 ENDBRANCH 1 2 BRANCH 1 19 ATOM 17 O LIG 1 -1.043 -2.532 0.887 0.00 0.00 -0.274 OA ATOM 18 C LIG 1 -1.482 -1.482 0.424 0.00 0.00 +0.228 C ATOM 19 N LIG 1 -0.799 -0.285 0.508 0.00 0.00 -0.303 N ATOM 20 H LIG 1 -1.047 0.426 -0.173 0.00 0.00 +0.149 HD BRANCH 18 21 ATOM 21 C LIG 1 -2.847 -1.382 -0.273 0.00 0.00 +0.181 C BRANCH 21 22 ATOM 22 N LIG 1 -3.957 -1.347 0.703 0.00 0.00 -0.285 NA ATOM 23 C LIG 1 -5.305 -1.403 0.082 0.00 0.00 +0.105 C ATOM 24 C LIG 1 -5.522 -2.562 -0.919 0.00 0.00 +0.128 C ATOM 25 N LIG 1 -6.861 -2.545 -1.471 0.00 0.00 -0.310 N ATOM 26 H LIG 1 -7.245 -3.386 -1.885 0.00 0.00 +0.149 HD ATOM 27 C LIG 1 -7.424 -1.381 -1.939 0.00 0.00 +0.244 C ATOM 28 C LIG 1 -6.785 -0.102 -1.513 0.00 0.00 +0.042 A ATOM 29 C LIG 1 -7.242 1.098 -2.068 0.00 0.00 +0.013 A ATOM 30 C LIG 1 -6.679 2.310 -1.670 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -5.668 2.329 -0.710 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -5.210 1.135 -0.136 0.00 0.00 -0.041 A ATOM 33 C LIG 1 -4.103 1.172 0.888 0.00 0.00 +0.051 C ATOM 34 O LIG 1 -8.406 -1.405 -2.670 0.00 0.00 -0.270 OA ATOM 35 C LIG 1 -5.753 -0.094 -0.554 0.00 0.00 -0.013 A ATOM 36 C LIG 1 -3.907 -0.176 1.601 0.00 0.00 +0.090 C ENDBRANCH 21 22 ENDBRANCH 18 21 ENDBRANCH 1 19 BRANCH 1 37 ATOM 37 C LIG 1 0.954 0.983 1.751 0.00 0.00 +0.067 C BRANCH 37 38 ATOM 38 C LIG 1 0.408 2.296 1.231 0.00 0.00 -0.045 A ATOM 39 C LIG 1 1.022 2.959 0.161 0.00 0.00 +0.004 A ATOM 40 C LIG 1 0.495 4.157 -0.324 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -0.645 4.708 0.258 0.00 0.00 +0.000 A ATOM 42 C LIG 1 -1.260 4.061 1.328 0.00 0.00 +0.000 A ATOM 43 C LIG 1 -0.737 2.861 1.812 0.00 0.00 +0.004 A ENDBRANCH 37 38 ENDBRANCH 1 37 TORSDOF 7