REMARK Name = BDB008768 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.959 -0.483 -0.114 0.00 0.00 +0.127 A ATOM 2 N LIG 1 1.057 0.644 0.616 0.00 0.00 -0.224 NA ATOM 3 C LIG 1 -0.051 1.066 1.256 0.00 0.00 +0.116 A ATOM 4 C LIG 1 -1.275 0.426 1.190 0.00 0.00 +0.047 A ATOM 5 C LIG 1 -1.381 -0.734 0.419 0.00 0.00 +0.008 A ATOM 6 C LIG 1 -0.224 -1.202 -0.220 0.00 0.00 +0.054 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -2.648 -1.451 0.336 0.00 0.00 +0.100 A ATOM 8 C LIG 1 -3.317 -1.817 -0.830 0.00 0.00 +0.113 A ATOM 9 C LIG 1 -4.500 -2.538 -0.731 0.00 0.00 +0.115 A ATOM 10 C LIG 1 -4.920 -2.772 -2.059 0.00 0.00 +0.086 A ATOM 11 N LIG 1 -4.082 -2.218 -2.945 0.00 0.00 -0.174 NA ATOM 12 C LIG 1 -6.124 -3.507 -2.509 0.00 0.00 +0.070 C ATOM 13 N LIG 1 -5.064 -2.897 0.442 0.00 0.00 -0.232 NA ATOM 14 C LIG 1 -4.376 -2.478 1.508 0.00 0.00 +0.222 A ATOM 15 N LIG 1 -3.139 -1.627 -2.178 0.00 0.00 -0.263 N ATOM 16 C LIG 1 -2.127 -0.846 -2.850 0.00 0.00 +0.173 C ATOM 17 N LIG 1 -3.227 -1.780 1.520 0.00 0.00 -0.233 NA ENDBRANCH 5 7 BRANCH 1 19 ATOM 18 C LIG 1 2.386 -1.883 -1.617 0.00 0.00 +0.235 C ATOM 19 N LIG 1 2.140 -0.840 -0.753 0.00 0.00 -0.269 N ATOM 20 H LIG 1 2.942 -0.256 -0.526 0.00 0.00 +0.156 HD ATOM 21 O LIG 1 1.555 -2.699 -2.006 0.00 0.00 -0.274 OA BRANCH 18 22 ATOM 22 C LIG 1 3.847 -1.866 -2.144 0.00 0.00 +0.137 C ATOM 23 C LIG 1 4.274 -3.268 -2.571 0.00 0.00 +0.034 C BRANCH 22 25 ATOM 24 C LIG 1 5.988 -0.801 -1.645 0.00 0.00 +0.101 C ATOM 25 N LIG 1 4.734 -1.301 -1.096 0.00 0.00 -0.309 NA ATOM 26 H LIG 1 4.936 -2.029 -0.406 0.00 0.00 +0.122 HD ENDBRANCH 22 25 ENDBRANCH 18 22 ENDBRANCH 1 19 BRANCH 3 27 ATOM 27 C LIG 1 0.119 2.263 2.014 0.00 0.00 -0.041 C ATOM 28 C LIG 1 0.270 3.277 2.642 0.00 0.00 -0.059 C BRANCH 28 29 ATOM 29 C LIG 1 0.457 4.489 3.377 0.00 0.00 +0.031 A ATOM 30 C LIG 1 1.410 4.551 4.396 0.00 0.00 +0.055 A ATOM 31 C LIG 1 1.587 5.741 5.098 0.00 0.00 +0.127 A ATOM 32 F LIG 1 2.503 5.799 6.073 0.00 0.00 -0.205 F ATOM 33 C LIG 1 0.833 6.869 4.803 0.00 0.00 +0.076 A ATOM 34 C LIG 1 -0.111 6.793 3.788 0.00 0.00 +0.127 A ATOM 35 F LIG 1 -0.846 7.874 3.493 0.00 0.00 -0.205 F ATOM 36 C LIG 1 -0.308 5.616 3.072 0.00 0.00 +0.055 A ENDBRANCH 28 29 ENDBRANCH 3 27 TORSDOF 6