REMARK Name = BDB026477 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.869 1.215 0.068 0.00 0.00 -0.278 N ATOM 2 C LIG 1 -0.495 1.506 -0.041 0.00 0.00 +0.305 C ATOM 3 O LIG 1 -1.204 1.982 0.830 0.00 0.00 -0.252 OA ATOM 4 N LIG 1 -0.892 1.161 -1.336 0.00 0.00 -0.281 N ATOM 5 C LIG 1 0.167 0.446 -2.009 0.00 0.00 +0.128 C ATOM 6 C LIG 1 1.405 0.878 -1.234 0.00 0.00 +0.128 C ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 1.662 1.770 1.149 0.00 0.00 +0.164 C BRANCH 7 11 ATOM 8 C LIG 1 5.492 -0.062 1.575 0.00 0.00 +0.055 A ATOM 9 C LIG 1 4.315 -0.677 1.969 0.00 0.00 +0.124 A ATOM 10 N LIG 1 3.090 -0.114 1.828 0.00 0.00 -0.258 NA ATOM 11 C LIG 1 3.029 1.140 1.307 0.00 0.00 +0.059 A ATOM 12 C LIG 1 4.173 1.836 0.913 0.00 0.00 +0.025 A ATOM 13 C LIG 1 5.421 1.228 1.055 0.00 0.00 +0.016 A BRANCH 8 15 ATOM 14 O LIG 1 6.981 -1.278 2.877 0.00 0.00 -0.270 OA ATOM 15 C LIG 1 6.769 -0.767 1.781 0.00 0.00 +0.248 C ATOM 16 N LIG 1 7.666 -0.845 0.734 0.00 0.00 -0.295 N ATOM 17 C LIG 1 8.963 -1.484 0.918 0.00 0.00 +0.145 C ATOM 18 C LIG 1 9.649 -1.361 -0.435 0.00 0.00 +0.185 C ATOM 19 F LIG 1 10.288 -0.160 -0.512 0.00 0.00 -0.244 F ATOM 20 C LIG 1 8.488 -1.349 -1.415 0.00 0.00 +0.057 C ATOM 21 C LIG 1 7.438 -0.533 -0.670 0.00 0.00 +0.111 C ENDBRANCH 8 15 ENDBRANCH 7 11 ENDBRANCH 1 7 BRANCH 4 22 ATOM 22 C LIG 1 -2.294 1.046 -1.723 0.00 0.00 +0.142 C BRANCH 22 23 ATOM 23 C LIG 1 -2.975 -0.207 -1.144 0.00 0.00 +0.146 C BRANCH 23 24 ATOM 24 O LIG 1 -2.452 -1.376 -1.804 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 -2.757 -2.145 -1.292 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 -4.508 -0.187 -1.348 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 -5.231 0.966 -0.786 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -6.676 0.887 -1.076 0.00 0.00 +0.120 C ATOM 29 C LIG 1 -7.450 -0.075 -0.198 0.00 0.00 -0.030 A ATOM 30 C LIG 1 -6.958 -0.459 1.063 0.00 0.00 -0.042 A ATOM 31 C LIG 1 -7.710 -1.324 1.870 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -8.952 -1.788 1.438 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -9.450 -1.395 0.198 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.598 0.007 1.523 0.00 0.00 +0.051 C ATOM 35 C LIG 1 -8.706 -0.541 -0.615 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -5.045 1.153 0.664 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 8