REMARK Name = BDB037873 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.171 -2.474 0.969 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -1.200 -1.635 0.523 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -1.002 -0.406 -0.079 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -2.295 0.139 -0.329 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -3.238 -0.747 0.036 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 0.366 0.147 -0.325 0.00 0.00 +0.057 C ATOM 7 C LIG 1 1.272 -0.405 0.809 0.00 0.00 +0.167 C ATOM 8 N LIG 1 -2.565 -1.797 0.544 0.00 0.00 -0.246 N ATOM 9 C LIG 1 1.136 -1.945 0.936 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.146 -2.645 1.087 0.00 0.00 -0.273 OA ENDROOT BRANCH 7 11 ATOM 11 N LIG 1 2.693 -0.071 0.677 0.00 0.00 -0.299 N ATOM 12 H LIG 1 3.328 -0.860 0.734 0.00 0.00 +0.150 HD ATOM 13 C LIG 1 3.154 1.202 0.912 0.00 0.00 +0.245 C ATOM 14 O LIG 1 2.410 2.142 1.165 0.00 0.00 -0.270 OA BRANCH 13 15 ATOM 15 C LIG 1 4.630 1.396 0.882 0.00 0.00 +0.037 A ATOM 16 C LIG 1 5.171 2.492 1.570 0.00 0.00 +0.025 A ATOM 17 C LIG 1 6.555 2.730 1.570 0.00 0.00 +0.056 A ATOM 18 C LIG 1 7.393 1.847 0.872 0.00 0.00 +0.012 A ATOM 19 C LIG 1 6.859 0.764 0.172 0.00 0.00 +0.001 A ATOM 20 C LIG 1 5.481 0.540 0.171 0.00 0.00 +0.013 A BRANCH 17 21 ATOM 21 C LIG 1 7.128 3.895 2.339 0.00 0.00 +0.417 C ATOM 22 F LIG 1 7.300 3.607 3.658 0.00 0.00 -0.166 F ATOM 23 F LIG 1 6.340 5.004 2.296 0.00 0.00 -0.166 F ATOM 24 F LIG 1 8.349 4.290 1.881 0.00 0.00 -0.166 F ENDBRANCH 17 21 ENDBRANCH 13 15 ENDBRANCH 7 11 BRANCH 4 25 ATOM 25 C LIG 1 -2.599 1.460 -0.931 0.00 0.00 +0.268 C ATOM 26 N LIG 1 -3.884 2.027 -0.796 0.00 0.00 -0.280 N ATOM 27 O LIG 1 -1.715 2.066 -1.542 0.00 0.00 -0.268 OA BRANCH 26 28 ATOM 28 C LIG 1 -4.109 3.351 -1.343 0.00 0.00 +0.078 C ATOM 29 C LIG 1 -4.010 3.606 -2.827 0.00 0.00 +0.024 C ATOM 30 C LIG 1 -5.341 3.685 -2.149 0.00 0.00 +0.024 C ENDBRANCH 26 28 BRANCH 26 31 ATOM 31 C LIG 1 -4.924 1.517 0.111 0.00 0.00 +0.227 C BRANCH 31 32 ATOM 32 C LIG 1 -4.554 1.620 1.534 0.00 0.00 +0.082 C ATOM 33 N LIG 1 -4.271 1.708 2.657 0.00 0.00 -0.195 NA ENDBRANCH 31 32 ENDBRANCH 26 31 ENDBRANCH 4 25 BRANCH 6 34 ATOM 34 C LIG 1 0.976 -0.111 -1.698 0.00 0.00 -0.001 C ATOM 35 C LIG 1 0.929 -1.454 -2.391 0.00 0.00 +0.004 C ATOM 36 C LIG 1 0.155 -0.295 -2.954 0.00 0.00 +0.004 C ENDBRANCH 6 34 BRANCH 8 37 ATOM 37 C LIG 1 -3.324 -2.895 1.190 0.00 0.00 +0.109 C ATOM 38 C LIG 1 -4.770 -3.191 0.846 0.00 0.00 +0.029 C ATOM 39 C LIG 1 -3.699 -4.162 0.456 0.00 0.00 +0.029 C ENDBRANCH 8 37 BRANCH 1 41 ATOM 40 C LIG 1 -0.214 -4.750 0.004 0.00 0.00 +0.025 C ATOM 41 C LIG 1 -0.297 -3.898 1.262 0.00 0.00 +0.112 C ENDBRANCH 1 41 TORSDOF 10