REMARK Name = BDB024577 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.095 -0.440 -0.858 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.186 0.251 -0.037 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.673 1.399 0.755 0.00 0.00 +0.082 C ATOM 4 C LIG 1 4.608 2.696 -0.060 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.963 1.507 2.101 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.472 1.659 1.905 0.00 0.00 +0.041 C ATOM 7 C LIG 1 1.937 0.620 0.960 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.553 0.324 0.984 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.423 0.867 1.780 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.554 0.288 1.428 0.00 0.00 +0.115 A ATOM 11 N LIG 1 -1.333 -0.655 0.439 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.012 -0.620 0.124 0.00 0.00 +0.069 A ATOM 13 C LIG 1 0.800 -1.291 -0.808 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.169 -0.985 -0.839 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.768 -0.051 0.023 0.00 0.00 +0.045 A ATOM 16 O LIG 1 4.878 -1.459 -1.504 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -2.339 -1.528 -0.159 0.00 0.00 +0.091 C ATOM 18 C LIG 1 -2.603 -1.213 -1.642 0.00 0.00 +0.040 C ATOM 19 C LIG 1 -2.992 -2.461 -2.433 0.00 0.00 +0.083 C ATOM 20 N LIG 1 -3.873 -3.308 -1.640 0.00 0.00 -0.316 NA ATOM 21 H LIG 1 -4.251 -4.062 -2.214 0.00 0.00 +0.122 HD ATOM 22 C LIG 1 -3.207 -3.873 -0.465 0.00 0.00 +0.083 C ATOM 23 C LIG 1 -2.057 -3.018 0.072 0.00 0.00 +0.040 C ENDBRANCH 11 17 BRANCH 1 25 ATOM 24 C LIG 1 7.301 -0.512 -1.687 0.00 0.00 +0.282 C ATOM 25 O LIG 1 6.332 0.149 -0.871 0.00 0.00 -0.453 OA ENDBRANCH 1 25 BRANCH 10 26 ATOM 26 C LIG 1 -2.890 0.626 2.021 0.00 0.00 +0.109 C BRANCH 26 27 ATOM 27 C LIG 1 -3.785 1.418 1.090 0.00 0.00 -0.037 A ATOM 28 C LIG 1 -3.338 2.618 0.518 0.00 0.00 +0.042 A ATOM 29 C LIG 1 -4.172 3.339 -0.330 0.00 0.00 +0.124 A ATOM 30 F LIG 1 -3.732 4.481 -0.876 0.00 0.00 -0.205 F ATOM 31 C LIG 1 -5.457 2.896 -0.619 0.00 0.00 +0.038 A ATOM 32 C LIG 1 -5.918 1.712 -0.047 0.00 0.00 +0.003 A ATOM 33 C LIG 1 -5.089 0.979 0.807 0.00 0.00 +0.004 A ENDBRANCH 26 27 ENDBRANCH 10 26 TORSDOF 4