REMARK Name = BDB039183 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.918 -0.897 1.629 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.157 -0.221 0.692 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.748 -0.590 0.589 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.912 0.336 -0.258 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.476 1.437 -0.941 0.00 0.00 -0.039 A ATOM 6 C LIG 1 2.673 2.282 -1.715 0.00 0.00 +0.006 A ATOM 7 C LIG 1 1.300 2.059 -1.857 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.745 0.964 -1.183 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.541 0.455 -1.069 0.00 0.00 -0.324 N ATOM 10 C LIG 1 -0.463 -0.714 -0.321 0.00 0.00 +0.114 A ATOM 11 N LIG 1 0.772 -0.903 0.102 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 4.945 1.735 -0.786 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.528 0.112 -0.412 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.742 0.479 -0.443 0.00 0.00 +0.116 C ATOM 15 O LIG 1 5.457 -1.669 2.462 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -1.556 -1.708 -0.012 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -2.096 -2.424 -1.254 0.00 0.00 +0.012 C ATOM 18 C LIG 1 -3.148 -3.457 -0.853 0.00 0.00 +0.015 C ATOM 19 C LIG 1 -4.326 -2.852 -0.074 0.00 0.00 +0.098 C ATOM 20 C LIG 1 -4.071 -1.409 0.395 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -2.652 -1.175 0.920 0.00 0.00 +0.012 C BRANCH 19 22 ATOM 22 C LIG 1 -4.717 -3.753 1.091 0.00 0.00 +0.308 C ATOM 23 O LIG 1 -4.636 -3.452 2.271 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 -5.202 -4.951 0.689 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 -5.222 -5.074 -0.278 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 19 22 ENDBRANCH 10 16 BRANCH 1 27 ATOM 26 C LIG 1 8.062 -1.283 2.489 0.00 0.00 +0.282 C ATOM 27 O LIG 1 7.247 -0.612 1.528 0.00 0.00 -0.454 OA ENDBRANCH 1 27 BRANCH 9 28 ATOM 28 C LIG 1 -1.735 1.016 -1.699 0.00 0.00 +0.090 C ATOM 29 C LIG 1 -1.675 0.865 -3.225 0.00 0.00 +0.031 C BRANCH 28 30 ATOM 30 C LIG 1 -2.065 2.477 -1.308 0.00 0.00 +0.063 C BRANCH 30 31 ATOM 31 C LIG 1 -2.496 2.656 0.126 0.00 0.00 -0.007 A ATOM 32 C LIG 1 -1.586 3.086 1.099 0.00 0.00 +0.162 A ATOM 33 F LIG 1 -0.326 3.378 0.748 0.00 0.00 -0.202 F ATOM 34 C LIG 1 -1.979 3.235 2.424 0.00 0.00 +0.159 A ATOM 35 F LIG 1 -1.101 3.656 3.345 0.00 0.00 -0.202 F ATOM 36 C LIG 1 -3.287 2.960 2.808 0.00 0.00 +0.041 A ATOM 37 C LIG 1 -4.211 2.540 1.851 0.00 0.00 +0.003 A ATOM 38 C LIG 1 -3.820 2.392 0.516 0.00 0.00 +0.007 A ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 9 28 TORSDOF 7