REMARK Name = BDB024911 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.820 -1.502 0.299 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.090 -0.329 0.034 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.756 0.995 0.121 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.767 1.188 -1.024 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.806 2.203 0.096 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.558 1.919 0.898 0.00 0.00 +0.041 C ATOM 7 C LIG 1 1.883 0.733 0.274 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.481 0.670 0.127 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.461 1.608 0.459 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 -1.634 1.096 0.135 0.00 0.00 +0.144 A ATOM 11 N LIG 1 -1.474 -0.173 -0.399 0.00 0.00 -0.322 N ATOM 12 C LIG 1 -0.121 -0.456 -0.419 0.00 0.00 +0.070 A ATOM 13 C LIG 1 0.628 -1.552 -0.853 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.019 -1.485 -0.699 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.661 -0.372 -0.137 0.00 0.00 +0.045 A ATOM 16 O LIG 1 4.380 -2.647 0.300 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -2.546 -1.061 -0.851 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -2.659 -2.324 0.017 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -3.871 -3.167 -0.401 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -4.034 -3.312 -1.923 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -2.819 -2.816 -2.702 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -2.476 -1.366 -2.361 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -3.852 -4.506 0.312 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -4.612 -4.785 1.228 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -2.907 -5.366 -0.122 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -2.345 -5.038 -0.847 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 6.905 -2.396 0.925 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.125 -1.241 0.616 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.966 1.780 0.307 0.00 0.00 +0.213 C BRANCH 29 30 ATOM 30 C LIG 1 -2.893 3.086 1.067 0.00 0.00 +0.026 A ATOM 31 C LIG 1 -2.511 4.282 0.446 0.00 0.00 +0.130 A ATOM 32 F LIG 1 -2.243 4.292 -0.869 0.00 0.00 -0.205 F ATOM 33 C LIG 1 -2.412 5.479 1.155 0.00 0.00 +0.041 A ATOM 34 C LIG 1 -2.691 5.495 2.520 0.00 0.00 +0.041 A ATOM 35 C LIG 1 -3.060 4.313 3.153 0.00 0.00 +0.124 A ATOM 36 F LIG 1 -3.324 4.325 4.466 0.00 0.00 -0.205 F ATOM 37 C LIG 1 -3.161 3.116 2.446 0.00 0.00 +0.047 A ENDBRANCH 29 30 BRANCH 29 38 ATOM 38 O LIG 1 -3.510 1.964 -1.002 0.00 0.00 -0.379 OA ATOM 39 H LIG 1 -2.971 2.666 -1.416 0.00 0.00 +0.211 HD ENDBRANCH 29 38 ENDBRANCH 10 29 TORSDOF 7