REMARK Name = BDB063097 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.132 0.591 0.932 0.00 0.00 +0.000 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.368 -0.459 -0.159 0.00 0.00 +0.000 C BRANCH 2 3 ATOM 3 C LIG 1 -1.840 -0.856 -0.308 0.00 0.00 +0.004 C BRANCH 3 4 ATOM 4 C LIG 1 -2.726 0.275 -0.833 0.00 0.00 +0.028 C BRANCH 4 9 ATOM 5 C LIG 1 -7.610 1.977 -0.408 0.00 0.00 +0.055 C ATOM 6 C LIG 1 -7.314 0.697 0.368 0.00 0.00 +0.207 C ATOM 7 C LIG 1 -6.604 -0.397 -0.416 0.00 0.00 +0.191 C ATOM 8 C LIG 1 -5.182 -0.006 -0.215 0.00 0.00 +0.064 C ATOM 9 C LIG 1 -4.140 -0.194 -1.044 0.00 0.00 -0.014 C ATOM 10 C LIG 1 -5.144 0.690 1.100 0.00 0.00 +0.338 C ATOM 11 O LIG 1 -4.160 0.915 1.778 0.00 0.00 -0.245 OA ATOM 12 O LIG 1 -6.426 0.996 1.455 0.00 0.00 -0.455 OA BRANCH 7 13 ATOM 13 O LIG 1 -6.993 -0.458 -1.775 0.00 0.00 -0.383 OA ATOM 14 H LIG 1 -6.571 -1.244 -2.162 0.00 0.00 +0.210 HD ENDBRANCH 7 13 ENDBRANCH 4 9 ENDBRANCH 3 4 ENDBRANCH 2 3 ENDBRANCH 1 2 BRANCH 1 15 ATOM 15 C LIG 1 1.353 0.912 1.148 0.00 0.00 +0.000 C BRANCH 15 16 ATOM 16 C LIG 1 1.997 0.184 2.334 0.00 0.00 +0.000 C BRANCH 16 17 ATOM 17 C LIG 1 2.106 -1.338 2.218 0.00 0.00 +0.004 C BRANCH 17 18 ATOM 18 C LIG 1 3.002 -1.843 1.081 0.00 0.00 +0.028 C BRANCH 18 19 ATOM 19 C LIG 1 4.446 -1.469 1.267 0.00 0.00 -0.014 C ATOM 20 C LIG 1 5.203 -0.803 0.382 0.00 0.00 +0.064 C ATOM 21 C LIG 1 4.864 -0.242 -0.948 0.00 0.00 +0.191 C ATOM 22 C LIG 1 5.929 0.840 -1.071 0.00 0.00 +0.207 C ATOM 23 C LIG 1 6.352 1.162 -2.494 0.00 0.00 +0.055 C ATOM 24 O LIG 1 7.061 0.348 -0.339 0.00 0.00 -0.455 OA ATOM 25 C LIG 1 6.626 -0.483 0.650 0.00 0.00 +0.338 C ATOM 26 O LIG 1 7.305 -0.913 1.562 0.00 0.00 -0.245 OA BRANCH 21 27 ATOM 27 O LIG 1 4.977 -1.259 -1.939 0.00 0.00 -0.383 OA ATOM 28 H LIG 1 5.833 -1.708 -1.824 0.00 0.00 +0.210 HD ENDBRANCH 21 27 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 1 15 TORSDOF 11