REMARK Name = BDB049066 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.316 0.228 -0.381 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -0.731 -0.067 0.855 0.00 0.00 +0.006 A ATOM 3 C LIG 1 0.617 -0.443 0.946 0.00 0.00 +0.023 A ATOM 4 C LIG 1 1.435 -0.527 -0.188 0.00 0.00 +0.030 A ATOM 5 C LIG 1 0.833 -0.241 -1.423 0.00 0.00 +0.023 A ATOM 6 C LIG 1 -0.513 0.133 -1.521 0.00 0.00 +0.006 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 2.789 -0.902 -0.148 0.00 0.00 -0.327 N ATOM 8 C LIG 1 3.292 -1.546 1.088 0.00 0.00 +0.124 C ATOM 9 C LIG 1 4.717 -2.088 0.879 0.00 0.00 +0.128 C ATOM 10 N LIG 1 5.627 -1.048 0.392 0.00 0.00 -0.282 N ATOM 11 C LIG 1 6.980 -1.361 0.431 0.00 0.00 +0.305 C ATOM 12 N LIG 1 7.838 -0.278 0.408 0.00 0.00 -0.285 N ATOM 13 C LIG 1 9.277 -0.490 0.420 0.00 0.00 +0.109 C ATOM 14 C LIG 1 9.856 0.748 1.094 0.00 0.00 +0.020 C ATOM 15 C LIG 1 8.816 1.820 0.803 0.00 0.00 +0.020 C ATOM 16 C LIG 1 7.510 1.049 0.912 0.00 0.00 +0.109 C ATOM 17 O LIG 1 7.383 -2.519 0.522 0.00 0.00 -0.252 OA ATOM 18 C LIG 1 5.128 -0.416 -0.836 0.00 0.00 +0.128 C ATOM 19 C LIG 1 3.707 0.147 -0.662 0.00 0.00 +0.124 C ENDBRANCH 4 7 BRANCH 1 23 ATOM 20 N LIG 1 -5.029 0.346 0.047 0.00 0.00 -0.296 NA ATOM 21 C LIG 1 -4.717 1.739 0.409 0.00 0.00 +0.104 C ATOM 22 C LIG 1 -3.186 1.916 0.232 0.00 0.00 +0.079 C ATOM 23 C LIG 1 -2.769 0.630 -0.520 0.00 0.00 +0.051 C ATOM 24 C LIG 1 -3.757 -0.390 0.063 0.00 0.00 +0.094 C BRANCH 22 25 ATOM 25 N LIG 1 -2.693 3.203 -0.305 0.00 0.00 -0.304 NA ATOM 26 C LIG 1 -3.077 4.325 0.550 0.00 0.00 +0.104 C ATOM 27 C LIG 1 -3.077 3.463 -1.690 0.00 0.00 +0.104 C ENDBRANCH 22 25 BRANCH 20 28 ATOM 28 C LIG 1 -6.056 -0.242 0.911 0.00 0.00 +0.122 C BRANCH 28 31 ATOM 29 C LIG 1 -7.542 -0.678 -1.691 0.00 0.00 +0.044 C ATOM 30 C LIG 1 -7.222 -1.813 -0.756 0.00 0.00 -0.043 A ATOM 31 C LIG 1 -6.516 -1.609 0.451 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -6.231 -2.723 1.255 0.00 0.00 +0.128 A ATOM 33 F LIG 1 -5.564 -2.563 2.409 0.00 0.00 -0.205 F ATOM 34 C LIG 1 -6.616 -4.009 0.891 0.00 0.00 +0.039 A ATOM 35 C LIG 1 -7.301 -4.209 -0.302 0.00 0.00 +0.003 A ATOM 36 C LIG 1 -7.598 -3.119 -1.121 0.00 0.00 +0.004 A ENDBRANCH 28 31 ENDBRANCH 20 28 ENDBRANCH 1 23 TORSDOF 5