REMARK Name = BDB029323 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.652 -0.714 -1.331 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.119 -0.533 -0.177 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.161 -0.041 0.900 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.447 -1.094 -0.459 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.559 -1.141 0.361 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.727 -1.734 -0.144 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.730 -2.261 -1.457 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.587 -2.207 -2.279 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.446 -1.609 -1.749 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.102 -1.405 -2.368 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.025 0.883 -0.710 0.00 0.00 -0.039 A ATOM 12 C LIG 1 -2.682 0.460 -0.560 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -1.999 -0.300 -1.523 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.692 -0.640 -2.690 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -4.020 -0.254 -2.872 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.673 0.490 -1.893 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -4.776 1.742 0.439 0.00 0.00 +0.005 C ATOM 18 C LIG 1 -5.800 2.831 -0.039 0.00 0.00 +0.030 C ATOM 19 C LIG 1 -5.151 3.868 0.898 0.00 0.00 +0.093 C ATOM 20 C LIG 1 -3.937 2.928 1.035 0.00 0.00 +0.030 C BRANCH 19 21 ATOM 21 C LIG 1 -5.862 4.156 2.127 0.00 0.00 +0.066 C ATOM 22 N LIG 1 -6.411 4.386 3.123 0.00 0.00 -0.196 NA ENDBRANCH 19 21 BRANCH 17 23 ATOM 23 C LIG 1 -5.301 0.790 1.542 0.00 0.00 +0.088 C BRANCH 23 26 ATOM 24 C LIG 1 -4.883 -2.296 1.393 0.00 0.00 +0.151 C ATOM 25 N LIG 1 -6.046 -1.572 0.958 0.00 0.00 -0.320 N ATOM 26 C LIG 1 -6.267 -0.220 1.019 0.00 0.00 +0.134 A ATOM 27 N LIG 1 -7.460 0.031 0.517 0.00 0.00 -0.135 NA ATOM 28 N LIG 1 -8.017 -1.159 0.115 0.00 0.00 -0.138 NA ATOM 29 C LIG 1 -7.158 -2.111 0.388 0.00 0.00 +0.224 A ENDBRANCH 23 26 ENDBRANCH 17 23 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 2.590 -2.762 -3.678 0.00 0.00 +0.418 C ATOM 31 F LIG 1 3.764 -3.351 -4.033 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.349 -1.803 -4.612 0.00 0.00 -0.166 F ATOM 33 F LIG 1 1.625 -3.705 -3.858 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 4.972 -1.807 0.718 0.00 0.00 +0.119 C BRANCH 34 35 ATOM 35 N LIG 1 5.478 -0.487 1.104 0.00 0.00 -0.295 NA ATOM 36 C LIG 1 6.448 -0.583 2.215 0.00 0.00 +0.116 C ATOM 37 C LIG 1 7.188 0.747 2.498 0.00 0.00 +0.133 C ATOM 38 C LIG 1 7.918 1.200 1.250 0.00 0.00 +0.040 C ATOM 39 C LIG 1 6.712 1.589 0.420 0.00 0.00 +0.031 C ATOM 40 C LIG 1 5.902 2.372 1.452 0.00 0.00 +0.165 C ATOM 41 O LIG 1 6.226 1.798 2.740 0.00 0.00 -0.375 OA ATOM 42 C LIG 1 5.976 0.308 -0.027 0.00 0.00 +0.090 C ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 8