REMARK Name = BDB055719 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.122 -1.921 -0.227 0.00 0.00 +0.072 A ATOM 2 C LIG 1 0.101 -2.545 1.017 0.00 0.00 +0.135 A ATOM 3 F LIG 1 1.222 -2.681 1.739 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.095 -3.030 1.536 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.274 -2.902 0.798 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.267 -2.293 -0.468 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.052 -1.819 -0.984 0.00 0.00 +0.020 A ENDROOT BRANCH 1 18 ATOM 8 O LIG 1 4.846 1.159 -3.848 0.00 0.00 -0.275 OA ATOM 9 C LIG 1 4.626 1.078 -2.641 0.00 0.00 +0.219 C ATOM 10 N LIG 1 5.608 1.386 -1.733 0.00 0.00 -0.285 N ATOM 11 H LIG 1 6.478 1.723 -2.126 0.00 0.00 +0.155 HD ATOM 12 C LIG 1 5.421 1.360 -0.349 0.00 0.00 +0.039 A ATOM 13 C LIG 1 4.270 0.763 0.171 0.00 0.00 -0.002 A ATOM 14 C LIG 1 4.005 0.846 1.546 0.00 0.00 -0.039 A ATOM 15 C LIG 1 2.708 0.295 2.078 0.00 0.00 +0.054 C ATOM 16 C LIG 1 1.643 0.352 0.980 0.00 0.00 +0.113 C ATOM 17 N LIG 1 2.082 -0.398 -0.201 0.00 0.00 -0.290 N ATOM 18 C LIG 1 1.382 -1.436 -0.810 0.00 0.00 +0.250 C ATOM 19 O LIG 1 1.743 -1.966 -1.860 0.00 0.00 -0.270 OA ATOM 20 C LIG 1 4.946 1.438 2.395 0.00 0.00 +0.004 A ATOM 21 C LIG 1 6.125 1.973 1.871 0.00 0.00 +0.002 A ATOM 22 C LIG 1 3.385 -0.021 -0.781 0.00 0.00 +0.117 C ATOM 23 C LIG 1 6.362 1.942 0.496 0.00 0.00 +0.023 A ATOM 24 C LIG 1 3.255 0.760 -2.086 0.00 0.00 +0.123 C ENDBRANCH 1 18 BRANCH 6 25 ATOM 25 C LIG 1 -3.542 -2.186 -1.274 0.00 0.00 +0.093 C BRANCH 25 26 ATOM 26 C LIG 1 -4.628 -1.391 -0.558 0.00 0.00 +0.074 A ATOM 27 C LIG 1 -4.619 0.094 -0.601 0.00 0.00 +0.011 A ATOM 28 C LIG 1 -5.621 0.756 0.106 0.00 0.00 +0.050 A ATOM 29 C LIG 1 -5.682 2.155 0.122 0.00 0.00 +0.014 A ATOM 30 C LIG 1 -4.732 2.897 -0.577 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -3.729 2.243 -1.290 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -6.627 -0.032 0.837 0.00 0.00 +0.272 A ATOM 33 O LIG 1 -7.524 0.508 1.475 0.00 0.00 -0.266 OA ATOM 34 N LIG 1 -6.498 -1.397 0.758 0.00 0.00 -0.242 N ATOM 35 H LIG 1 -7.185 -1.957 1.254 0.00 0.00 +0.192 HD ATOM 36 C LIG 1 -3.670 0.845 -1.305 0.00 0.00 +0.010 A ATOM 37 N LIG 1 -5.527 -2.074 0.091 0.00 0.00 -0.175 NA ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 3