REMARK Name = BDB010710 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.788 -1.012 -0.870 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.503 -0.473 -0.966 0.00 0.00 -0.318 N ATOM 3 C LIG 1 -0.408 -1.510 -0.839 0.00 0.00 +0.128 A ATOM 4 C LIG 1 0.389 -2.632 -0.677 0.00 0.00 +0.184 A ATOM 5 N LIG 1 -0.069 -3.885 -0.550 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 -1.395 -3.948 -0.625 0.00 0.00 +0.203 A ATOM 7 N LIG 1 -2.266 -2.924 -0.776 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 -1.797 -1.660 -0.862 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.708 -2.317 -0.665 0.00 0.00 -0.206 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -2.020 -5.285 -0.525 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -3.357 -5.387 -0.614 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -4.012 -4.636 -0.752 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -3.659 -6.685 -0.495 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -4.781 -7.164 -0.529 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -2.493 -7.389 -0.329 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -1.432 -6.425 -0.355 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 1 19 ATOM 17 C LIG 1 5.489 -0.284 -0.762 0.00 0.00 -0.041 A ATOM 18 C LIG 1 4.267 -0.960 -0.658 0.00 0.00 +0.035 A ATOM 19 C LIG 1 3.078 -0.300 -0.970 0.00 0.00 +0.106 A ATOM 20 N LIG 1 3.054 0.988 -1.384 0.00 0.00 -0.252 NA ATOM 21 C LIG 1 4.241 1.626 -1.483 0.00 0.00 +0.112 A ATOM 22 C LIG 1 5.463 1.045 -1.187 0.00 0.00 +0.023 A BRANCH 17 24 ATOM 23 C LIG 1 7.500 -0.332 0.755 0.00 0.00 +0.012 C ATOM 24 C LIG 1 6.782 -0.999 -0.422 0.00 0.00 +0.013 C ATOM 25 C LIG 1 7.707 -1.097 -1.638 0.00 0.00 +0.012 C ENDBRANCH 17 24 ENDBRANCH 1 19 BRANCH 8 26 ATOM 26 N LIG 1 -2.694 -0.608 -0.974 0.00 0.00 -0.324 N ATOM 27 H LIG 1 -2.374 0.236 -0.525 0.00 0.00 +0.148 HD BRANCH 26 28 ATOM 28 C LIG 1 -4.124 -0.865 -0.765 0.00 0.00 +0.072 C ATOM 29 C LIG 1 -4.894 0.263 -1.456 0.00 0.00 +0.028 C BRANCH 28 30 ATOM 30 C LIG 1 -4.452 -0.986 0.736 0.00 0.00 +0.009 C ATOM 31 C LIG 1 -4.394 0.263 1.655 0.00 0.00 +0.005 C ATOM 32 C LIG 1 -5.931 0.309 1.638 0.00 0.00 +0.001 C ATOM 33 C LIG 1 -5.933 -1.153 1.161 0.00 0.00 +0.005 C ENDBRANCH 28 30 ENDBRANCH 26 28 ENDBRANCH 8 26 BRANCH 2 34 ATOM 34 C LIG 1 0.189 0.920 -1.246 0.00 0.00 +0.127 C BRANCH 34 35 ATOM 35 C LIG 1 0.385 1.866 -0.042 0.00 0.00 +0.014 C ATOM 36 C LIG 1 -0.737 1.730 0.997 0.00 0.00 +0.081 C ATOM 37 C LIG 1 -0.546 2.696 2.159 0.00 0.00 +0.252 C ATOM 38 F LIG 1 0.561 2.334 2.854 0.00 0.00 -0.205 F ATOM 39 F LIG 1 -1.599 2.568 3.006 0.00 0.00 -0.205 F ATOM 40 C LIG 1 -0.427 4.149 1.699 0.00 0.00 +0.055 C ATOM 41 C LIG 1 -0.166 5.081 2.881 0.00 0.00 +0.013 C ATOM 42 C LIG 1 0.676 4.294 0.644 0.00 0.00 +0.009 C ATOM 43 C LIG 1 0.475 3.324 -0.522 0.00 0.00 +0.006 C ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 8