REMARK Name = BDB035400 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.197 0.870 1.215 0.00 0.00 -0.032 A ATOM 2 C LIG 1 -2.553 0.169 2.264 0.00 0.00 +0.017 A ATOM 3 C LIG 1 -1.177 -0.135 2.224 0.00 0.00 +0.061 A ATOM 4 C LIG 1 -0.460 0.299 1.114 0.00 0.00 -0.006 A ATOM 5 C LIG 1 0.989 0.133 0.788 0.00 0.00 +0.150 C ATOM 6 N LIG 1 1.134 0.815 -0.492 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.087 1.344 -0.926 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -0.376 1.970 -1.929 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -1.086 1.010 0.098 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -2.434 1.315 0.123 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 2.381 0.898 -1.170 0.00 0.00 +0.037 A ATOM 12 C LIG 1 3.536 0.311 -0.622 0.00 0.00 +0.028 A ATOM 13 C LIG 1 4.811 0.346 -1.246 0.00 0.00 -0.032 A ATOM 14 C LIG 1 4.875 1.020 -2.476 0.00 0.00 +0.005 A ATOM 15 C LIG 1 3.749 1.617 -3.042 0.00 0.00 +0.002 A ATOM 16 C LIG 1 2.515 1.555 -2.393 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 6.075 -0.372 -0.549 0.00 0.00 +0.057 C ATOM 18 C LIG 1 7.537 -0.082 -1.070 0.00 0.00 +0.030 C ATOM 19 C LIG 1 7.654 0.927 0.040 0.00 0.00 +0.020 C ATOM 20 C LIG 1 8.980 1.195 0.671 0.00 0.00 +0.169 C ATOM 21 O LIG 1 8.949 2.567 0.178 0.00 0.00 -0.379 OA ATOM 22 C LIG 1 7.580 2.388 -0.290 0.00 0.00 +0.169 C ATOM 23 C LIG 1 6.546 0.282 0.820 0.00 0.00 +0.030 C BRANCH 17 24 ATOM 24 C LIG 1 5.796 -1.924 -0.418 0.00 0.00 +0.144 A ATOM 25 N LIG 1 5.637 -2.828 -1.433 0.00 0.00 -0.320 N ATOM 26 C LIG 1 5.690 -2.587 -2.848 0.00 0.00 +0.151 C ATOM 27 C LIG 1 5.385 -4.023 -0.833 0.00 0.00 +0.224 A ATOM 28 N LIG 1 5.383 -3.868 0.470 0.00 0.00 -0.138 NA ATOM 29 N LIG 1 5.634 -2.543 0.733 0.00 0.00 -0.134 NA ENDBRANCH 17 24 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 30 ATOM 30 C LIG 1 -0.505 -0.902 3.331 0.00 0.00 +0.418 C ATOM 31 F LIG 1 -0.008 -2.093 2.901 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -1.328 -1.189 4.376 0.00 0.00 -0.166 F ATOM 33 F LIG 1 0.551 -0.224 3.859 0.00 0.00 -0.166 F ENDBRANCH 3 30 BRANCH 1 34 ATOM 34 C LIG 1 -4.676 1.205 1.326 0.00 0.00 +0.120 C BRANCH 34 36 ATOM 35 C LIG 1 -6.044 -0.080 -0.351 0.00 0.00 +0.074 C ATOM 36 N LIG 1 -5.377 1.201 0.034 0.00 0.00 -0.293 NA ATOM 37 C LIG 1 -6.387 2.284 -0.011 0.00 0.00 +0.100 C ATOM 38 C LIG 1 -7.651 2.004 0.833 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -8.327 0.730 0.526 0.00 0.00 -0.303 NA ATOM 40 C LIG 1 -9.091 0.815 -0.718 0.00 0.00 +0.105 C ATOM 41 C LIG 1 -7.340 -0.370 0.479 0.00 0.00 +0.103 C BRANCH 35 43 ATOM 42 C LIG 1 -5.573 -2.239 -1.615 0.00 0.00 +0.009 C ATOM 43 C LIG 1 -5.103 -1.323 -0.472 0.00 0.00 +0.001 C ATOM 44 C LIG 1 -4.972 -2.176 0.794 0.00 0.00 +0.009 C ENDBRANCH 35 43 ENDBRANCH 34 36 ENDBRANCH 1 34 TORSDOF 7