REMARK Name = BDB010920 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.836 -1.208 -0.245 0.00 0.00 +0.142 A ATOM 2 N LIG 1 0.248 -2.086 0.651 0.00 0.00 -0.326 N ATOM 3 C LIG 1 0.830 -3.332 1.097 0.00 0.00 +0.151 C ATOM 4 C LIG 1 -0.934 -1.526 1.107 0.00 0.00 +0.081 A ATOM 5 C LIG 1 -0.923 -0.253 0.541 0.00 0.00 +0.090 A ATOM 6 C LIG 1 -1.957 0.654 0.810 0.00 0.00 +0.034 A ATOM 7 C LIG 1 -3.014 0.268 1.642 0.00 0.00 -0.031 A ATOM 8 C LIG 1 -3.011 -1.021 2.194 0.00 0.00 +0.019 A ATOM 9 C LIG 1 -1.989 -1.970 1.942 0.00 0.00 +0.081 A ATOM 10 N LIG 1 0.173 -0.067 -0.254 0.00 0.00 -0.228 NA ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.202 -0.586 -1.886 0.00 0.00 -0.033 A ATOM 12 C LIG 1 3.011 -0.437 -1.143 0.00 0.00 +0.016 A ATOM 13 C LIG 1 2.045 -1.453 -1.038 0.00 0.00 +0.018 A ATOM 14 C LIG 1 2.248 -2.649 -1.731 0.00 0.00 +0.011 A ATOM 15 C LIG 1 3.413 -2.840 -2.470 0.00 0.00 +0.001 A ATOM 16 C LIG 1 4.372 -1.826 -2.535 0.00 0.00 +0.004 A BRANCH 11 20 ATOM 17 C LIG 1 5.290 3.610 -3.803 0.00 0.00 +0.007 C ATOM 18 C LIG 1 5.798 2.483 -2.926 0.00 0.00 -0.012 C ATOM 19 C LIG 1 4.894 2.060 -1.745 0.00 0.00 +0.022 C ATOM 20 C LIG 1 5.307 0.569 -2.010 0.00 0.00 +0.056 C ATOM 21 C LIG 1 5.619 1.050 -3.478 0.00 0.00 +0.022 C BRANCH 20 22 ATOM 22 C LIG 1 6.619 0.136 -1.223 0.00 0.00 +0.144 A ATOM 23 N LIG 1 6.822 0.105 0.130 0.00 0.00 -0.320 N ATOM 24 C LIG 1 5.911 0.466 1.180 0.00 0.00 +0.151 C ATOM 25 C LIG 1 8.093 -0.349 0.308 0.00 0.00 +0.224 A ATOM 26 N LIG 1 8.641 -0.595 -0.858 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 7.711 -0.295 -1.823 0.00 0.00 -0.134 NA ENDBRANCH 20 22 ENDBRANCH 11 20 ENDBRANCH 1 13 BRANCH 9 28 ATOM 28 C LIG 1 -2.092 -3.337 2.570 0.00 0.00 +0.419 C ATOM 29 F LIG 1 -1.783 -4.342 1.703 0.00 0.00 -0.166 F ATOM 30 F LIG 1 -1.243 -3.485 3.626 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -3.332 -3.636 3.048 0.00 0.00 -0.166 F ENDBRANCH 9 28 BRANCH 7 32 ATOM 32 C LIG 1 -4.135 1.238 1.953 0.00 0.00 +0.119 C BRANCH 32 33 ATOM 33 N LIG 1 -5.469 0.691 1.658 0.00 0.00 -0.298 NA ATOM 34 C LIG 1 -6.511 1.503 2.314 0.00 0.00 +0.088 C ATOM 35 C LIG 1 -7.949 1.225 1.821 0.00 0.00 +0.000 C ATOM 36 C LIG 1 -8.486 2.373 0.960 0.00 0.00 +0.009 C ATOM 37 C LIG 1 -8.030 -0.110 1.077 0.00 0.00 +0.006 C ATOM 38 C LIG 1 -7.002 -0.212 -0.050 0.00 0.00 +0.016 C ATOM 39 C LIG 1 -5.718 0.580 0.219 0.00 0.00 +0.085 C ENDBRANCH 32 33 ENDBRANCH 7 32 TORSDOF 6