REMARK Name = BDB059766 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.123 1.035 0.126 0.00 0.00 +0.113 A ATOM 2 N LIG 1 1.137 -0.295 -0.243 0.00 0.00 -0.292 N ATOM 3 C LIG 1 1.838 -1.216 0.516 0.00 0.00 +0.258 A ATOM 4 O LIG 1 1.796 -2.430 0.322 0.00 0.00 -0.267 OA ATOM 5 C LIG 1 2.650 -0.677 1.635 0.00 0.00 +0.047 A ATOM 6 C LIG 1 2.566 0.642 1.874 0.00 0.00 +0.049 A ATOM 7 C LIG 1 3.348 1.347 2.954 0.00 0.00 +0.066 C ATOM 8 N LIG 1 1.788 1.492 1.137 0.00 0.00 -0.238 NA ENDROOT BRANCH 1 9 ATOM 9 C LIG 1 0.283 2.014 -0.693 0.00 0.00 +0.074 C BRANCH 9 10 ATOM 10 C LIG 1 0.301 3.451 -0.167 0.00 0.00 +0.007 C BRANCH 10 12 ATOM 11 C LIG 1 -0.600 5.783 -0.481 0.00 0.00 +0.004 C ATOM 12 C LIG 1 -0.577 4.364 -1.023 0.00 0.00 -0.003 C ENDBRANCH 10 12 ENDBRANCH 9 10 ENDBRANCH 1 9 BRANCH 2 13 ATOM 13 C LIG 1 0.429 -0.812 -1.416 0.00 0.00 +0.161 C BRANCH 13 14 ATOM 14 C LIG 1 -1.068 -0.963 -1.227 0.00 0.00 -0.028 A ATOM 15 C LIG 1 -1.940 -0.598 -2.264 0.00 0.00 +0.006 A ATOM 16 C LIG 1 -3.324 -0.718 -2.109 0.00 0.00 +0.009 A ATOM 17 C LIG 1 -3.871 -1.207 -0.913 0.00 0.00 -0.017 A ATOM 18 C LIG 1 -2.996 -1.617 0.103 0.00 0.00 +0.009 A ATOM 19 C LIG 1 -1.612 -1.504 -0.054 0.00 0.00 +0.006 A BRANCH 17 20 ATOM 20 C LIG 1 -5.326 -1.266 -0.724 0.00 0.00 -0.007 A ATOM 21 C LIG 1 -6.040 -0.416 0.152 0.00 0.00 +0.028 A ATOM 22 C LIG 1 -7.427 -0.586 0.316 0.00 0.00 +0.012 A ATOM 23 C LIG 1 -8.116 -1.568 -0.396 0.00 0.00 +0.001 A ATOM 24 C LIG 1 -7.427 -2.397 -1.272 0.00 0.00 +0.001 A ATOM 25 C LIG 1 -6.048 -2.249 -1.432 0.00 0.00 +0.009 A BRANCH 21 26 ATOM 26 C LIG 1 -5.428 0.680 0.938 0.00 0.00 +0.183 A ATOM 27 N LIG 1 -4.352 1.353 0.507 0.00 0.00 -0.271 N ATOM 28 H LIG 1 -3.811 1.237 -0.331 0.00 0.00 +0.174 HD ATOM 29 C LIG 1 -4.068 2.276 1.437 0.00 0.00 +0.440 A ATOM 30 O LIG 1 -3.146 3.073 1.392 0.00 0.00 -0.221 OA ATOM 31 O LIG 1 -4.992 2.175 2.444 0.00 0.00 -0.295 OA ATOM 32 N LIG 1 -5.877 1.113 2.071 0.00 0.00 -0.054 NA ENDBRANCH 21 26 ENDBRANCH 17 20 ENDBRANCH 13 14 ENDBRANCH 2 13 BRANCH 5 33 ATOM 33 C LIG 1 3.478 -1.678 2.393 0.00 0.00 +0.141 C BRANCH 33 34 ATOM 34 C LIG 1 4.843 -1.890 1.843 0.00 0.00 +0.232 A ATOM 35 O LIG 1 5.841 -2.099 2.754 0.00 0.00 -0.338 OA ATOM 36 N LIG 1 7.020 -2.245 2.022 0.00 0.00 -0.061 NA ATOM 37 C LIG 1 6.607 -2.121 0.755 0.00 0.00 +0.175 A ATOM 38 N LIG 1 5.267 -1.892 0.599 0.00 0.00 -0.196 NA BRANCH 37 39 ATOM 39 C LIG 1 7.581 -2.197 -0.452 0.00 0.00 +0.060 C ATOM 40 C LIG 1 8.245 -3.507 -0.787 0.00 0.00 +0.012 C ATOM 41 C LIG 1 7.167 -2.966 -1.681 0.00 0.00 +0.012 C ENDBRANCH 37 39 ENDBRANCH 33 34 ENDBRANCH 5 33 TORSDOF 10