REMARK Name = BDB042168 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.047 0.648 2.209 0.00 0.00 +0.120 C ENDROOT BRANCH 1 8 ATOM 2 N LIG 1 5.769 0.334 0.447 0.00 0.00 -0.282 N ATOM 3 C LIG 1 5.090 1.344 -0.219 0.00 0.00 +0.248 C ATOM 4 O LIG 1 5.506 2.096 -1.078 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 3.716 1.342 0.295 0.00 0.00 +0.042 A ATOM 6 C LIG 1 3.589 0.280 1.187 0.00 0.00 -0.018 A ATOM 7 C LIG 1 2.382 0.040 1.818 0.00 0.00 +0.010 A ATOM 8 C LIG 1 1.292 0.887 1.538 0.00 0.00 -0.033 A ATOM 9 C LIG 1 1.449 1.960 0.627 0.00 0.00 +0.005 A ATOM 10 C LIG 1 2.671 2.193 -0.006 0.00 0.00 +0.014 A ATOM 11 C LIG 1 4.875 -0.468 1.273 0.00 0.00 +0.144 C BRANCH 2 18 ATOM 12 O LIG 1 10.423 -0.728 -2.304 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 9.427 -0.485 -1.629 0.00 0.00 +0.219 C ATOM 14 N LIG 1 8.210 -1.037 -1.940 0.00 0.00 -0.255 N ATOM 15 H LIG 1 8.185 -1.619 -2.766 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 7.046 -0.989 -1.206 0.00 0.00 +0.240 C ATOM 17 O LIG 1 6.080 -1.677 -1.531 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 7.096 -0.147 0.079 0.00 0.00 +0.163 C ATOM 19 C LIG 1 8.139 0.963 -0.046 0.00 0.00 +0.041 C ATOM 20 C LIG 1 9.492 0.350 -0.371 0.00 0.00 +0.098 C ENDBRANCH 2 18 ENDBRANCH 1 8 BRANCH 1 21 ATOM 21 N LIG 1 -0.596 -0.678 1.923 0.00 0.00 -0.292 NA ATOM 22 C LIG 1 -0.908 -0.929 0.488 0.00 0.00 +0.073 C ATOM 23 C LIG 1 -1.963 0.028 -0.122 0.00 0.00 +0.104 C ATOM 24 N LIG 1 -3.213 -0.291 0.633 0.00 0.00 -0.286 NA ATOM 25 C LIG 1 -2.795 -1.460 1.468 0.00 0.00 +0.073 C ATOM 26 C LIG 1 -1.758 -2.183 0.624 0.00 0.00 +0.040 C ATOM 27 C LIG 1 -1.903 -0.890 2.600 0.00 0.00 +0.104 C BRANCH 24 28 ATOM 28 C LIG 1 -4.364 -0.578 -0.260 0.00 0.00 +0.117 C BRANCH 28 29 ATOM 29 C LIG 1 -5.624 -0.987 0.512 0.00 0.00 -0.026 A ATOM 30 C LIG 1 -6.397 -2.072 0.066 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -7.554 -2.453 0.750 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -7.957 -1.751 1.885 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -7.207 -0.668 2.336 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -6.051 -0.286 1.653 0.00 0.00 +0.005 A ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -4.689 0.590 -1.202 0.00 0.00 -0.026 A ATOM 36 C LIG 1 -4.705 1.922 -0.753 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -5.015 2.967 -1.625 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -5.319 2.696 -2.957 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -5.317 1.382 -3.418 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -5.007 0.335 -2.548 0.00 0.00 +0.005 A ENDBRANCH 28 35 ENDBRANCH 24 28 ENDBRANCH 1 21 TORSDOF 6