REMARK Name = BDB022910 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.935 -1.798 -1.323 0.00 0.00 +0.028 C ATOM 2 C LIG 1 -0.830 -0.281 -1.531 0.00 0.00 +0.078 C ATOM 3 N LIG 1 -0.512 0.416 -0.278 0.00 0.00 -0.292 N ATOM 4 C LIG 1 -1.419 0.974 0.610 0.00 0.00 +0.220 C ATOM 5 O LIG 1 -1.062 1.275 1.757 0.00 0.00 -0.275 OA ATOM 6 C LIG 1 0.847 0.201 0.249 0.00 0.00 +0.163 C ATOM 7 C LIG 1 1.925 0.036 -0.800 0.00 0.00 +0.067 A ATOM 8 C LIG 1 1.604 -0.045 -2.141 0.00 0.00 -0.005 A ATOM 9 C LIG 1 2.671 -0.186 -2.996 0.00 0.00 +0.120 A ATOM 10 N LIG 1 3.950 -0.274 -2.584 0.00 0.00 -0.222 NA ATOM 11 C LIG 1 4.177 -0.205 -1.263 0.00 0.00 +0.220 A ATOM 12 N LIG 1 3.199 -0.054 -0.358 0.00 0.00 -0.217 NA ATOM 13 C LIG 1 0.194 0.077 -2.623 0.00 0.00 +0.060 C ENDROOT BRANCH 4 14 ATOM 14 C LIG 1 -2.860 1.315 0.209 0.00 0.00 +0.085 C ATOM 15 C LIG 1 -3.826 0.124 0.030 0.00 0.00 +0.045 C ATOM 16 C LIG 1 -5.220 0.706 -0.312 0.00 0.00 +0.093 C ATOM 17 N LIG 1 -5.253 1.541 -1.525 0.00 0.00 -0.305 NA ATOM 18 C LIG 1 -6.165 2.671 -1.363 0.00 0.00 +0.104 C ATOM 19 C LIG 1 -3.943 1.948 -2.028 0.00 0.00 +0.085 C ATOM 20 C LIG 1 -2.932 2.330 -0.949 0.00 0.00 +0.029 C BRANCH 15 21 ATOM 21 C LIG 1 -3.951 -0.838 1.207 0.00 0.00 -0.042 A ATOM 22 C LIG 1 -4.282 -2.180 0.948 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -4.427 -3.101 1.988 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -4.250 -2.694 3.306 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -3.934 -1.367 3.583 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -3.792 -0.444 2.543 0.00 0.00 +0.004 A ENDBRANCH 15 21 ENDBRANCH 4 14 BRANCH 11 27 ATOM 27 N LIG 1 5.515 -0.307 -0.893 0.00 0.00 -0.284 N ATOM 28 H LIG 1 6.072 -0.410 -1.729 0.00 0.00 +0.155 HD BRANCH 27 29 ATOM 29 C LIG 1 6.190 -0.256 0.330 0.00 0.00 +0.037 A ATOM 30 C LIG 1 7.580 -0.423 0.338 0.00 0.00 +0.052 A ATOM 31 C LIG 1 8.285 -0.386 1.542 0.00 0.00 +0.108 A ATOM 32 N LIG 1 7.669 -0.192 2.737 0.00 0.00 -0.254 NA ATOM 33 C LIG 1 6.329 -0.036 2.714 0.00 0.00 +0.113 A ATOM 34 C LIG 1 5.564 -0.061 1.558 0.00 0.00 +0.043 A BRANCH 31 35 ATOM 35 C LIG 1 9.786 -0.568 1.524 0.00 0.00 +0.390 C ATOM 36 F LIG 1 10.420 0.377 0.769 0.00 0.00 -0.202 F ATOM 37 F LIG 1 10.163 -1.768 0.993 0.00 0.00 -0.202 F ENDBRANCH 31 35 ENDBRANCH 27 29 ENDBRANCH 11 27 TORSDOF 5