REMARK Name = BDB010139 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.776 -1.143 0.271 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.443 -1.374 -0.058 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.116 -2.623 0.147 0.00 0.00 +0.185 A ATOM 4 N LIG 1 -1.419 -2.664 -0.241 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -1.698 -1.462 -0.692 0.00 0.00 +0.201 A ATOM 6 N LIG 1 0.543 -3.677 0.652 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 1.829 -3.378 0.919 0.00 0.00 +0.242 A ATOM 8 N LIG 1 -0.580 -0.646 -0.632 0.00 0.00 -0.303 N ATOM 9 N LIG 1 2.460 -2.199 0.753 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 -2.885 -1.054 -1.228 0.00 0.00 -0.296 N ATOM 11 C LIG 1 -3.753 -2.137 -1.764 0.00 0.00 +0.142 C ATOM 12 C LIG 1 -4.975 -2.455 -0.856 0.00 0.00 +0.080 C ATOM 13 C LIG 1 -4.562 -3.149 0.447 0.00 0.00 +0.043 C ATOM 14 C LIG 1 -5.933 -3.379 -1.621 0.00 0.00 +0.043 C ATOM 15 O LIG 1 -5.750 -1.289 -0.496 0.00 0.00 -0.371 OA ATOM 16 C LIG 1 -5.129 -0.048 -0.840 0.00 0.00 +0.179 C ATOM 17 C LIG 1 -3.640 -0.023 -0.478 0.00 0.00 +0.136 C ENDBRANCH 5 10 BRANCH 1 18 ATOM 18 N LIG 1 2.395 0.088 0.114 0.00 0.00 -0.324 N ATOM 19 H LIG 1 1.781 0.868 0.316 0.00 0.00 +0.148 HD BRANCH 18 21 ATOM 20 C LIG 1 3.653 0.514 2.183 0.00 0.00 +0.028 C ATOM 21 C LIG 1 3.738 0.268 0.674 0.00 0.00 +0.072 C BRANCH 21 22 ATOM 22 C LIG 1 4.378 1.490 0.006 0.00 0.00 +0.009 C ATOM 23 C LIG 1 4.710 1.355 -1.507 0.00 0.00 +0.005 C ATOM 24 C LIG 1 5.965 2.206 -1.234 0.00 0.00 +0.001 C ATOM 25 C LIG 1 5.903 1.701 0.222 0.00 0.00 +0.005 C ENDBRANCH 21 22 ENDBRANCH 18 21 ENDBRANCH 1 18 BRANCH 7 26 ATOM 26 C LIG 1 2.629 -4.523 1.480 0.00 0.00 +0.375 C ATOM 27 O LIG 1 3.802 -4.486 1.810 0.00 0.00 -0.242 OA BRANCH 26 28 ATOM 28 O LIG 1 1.862 -5.646 1.586 0.00 0.00 -0.475 OA ATOM 29 H LIG 1 0.947 -5.461 1.269 0.00 0.00 +0.296 HD ENDBRANCH 26 28 ENDBRANCH 7 26 BRANCH 8 30 ATOM 30 C LIG 1 -0.442 0.655 -1.271 0.00 0.00 +0.160 C BRANCH 30 31 ATOM 31 C LIG 1 -0.382 1.826 -0.310 0.00 0.00 -0.028 A ATOM 32 C LIG 1 -0.858 1.776 1.009 0.00 0.00 +0.006 A ATOM 33 C LIG 1 -0.768 2.893 1.845 0.00 0.00 +0.013 A ATOM 34 C LIG 1 -0.202 4.089 1.383 0.00 0.00 +0.055 A ATOM 35 C LIG 1 0.255 4.151 0.060 0.00 0.00 +0.013 A ATOM 36 C LIG 1 0.165 3.034 -0.774 0.00 0.00 +0.006 A BRANCH 34 37 ATOM 37 C LIG 1 -0.126 5.302 2.280 0.00 0.00 +0.417 C ATOM 38 F LIG 1 -1.238 6.082 2.188 0.00 0.00 -0.166 F ATOM 39 F LIG 1 0.001 4.983 3.598 0.00 0.00 -0.166 F ATOM 40 F LIG 1 0.928 6.114 1.990 0.00 0.00 -0.166 F ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 8 30 TORSDOF 9