REMARK Name = BDB037576 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.236 -1.921 -0.656 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -1.017 -0.917 -0.058 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.484 0.262 0.445 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -1.550 0.985 1.041 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.681 0.278 0.921 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 0.966 0.611 0.331 0.00 0.00 +0.057 C ATOM 7 C LIG 1 1.742 -0.723 0.377 0.00 0.00 +0.167 C ATOM 8 N LIG 1 -2.380 -0.772 0.116 0.00 0.00 -0.246 N ATOM 9 C LIG 1 1.169 -1.743 -0.631 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.941 -2.443 -1.301 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -1.482 2.310 1.702 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -2.652 3.007 1.974 0.00 0.00 -0.275 N ATOM 13 C LIG 1 -4.045 2.624 1.704 0.00 0.00 +0.185 C ATOM 14 C LIG 1 -4.870 3.640 2.500 0.00 0.00 +0.114 C ATOM 15 C LIG 1 -4.004 4.883 2.455 0.00 0.00 +0.267 C ATOM 16 F LIG 1 -4.201 5.544 1.294 0.00 0.00 -0.204 F ATOM 17 F LIG 1 -4.303 5.723 3.464 0.00 0.00 -0.204 F ATOM 18 C LIG 1 -2.585 4.350 2.542 0.00 0.00 +0.184 C ATOM 19 O LIG 1 -0.399 2.818 1.991 0.00 0.00 -0.268 OA BRANCH 13 20 ATOM 20 C LIG 1 -4.384 2.673 0.262 0.00 0.00 +0.085 C ATOM 21 N LIG 1 -4.662 2.704 -0.866 0.00 0.00 -0.195 NA ENDBRANCH 13 20 ENDBRANCH 4 11 BRANCH 8 22 ATOM 22 C LIG 1 -3.544 -1.422 -0.480 0.00 0.00 +0.114 C ATOM 23 C LIG 1 -3.633 -1.250 -1.998 0.00 0.00 +0.055 C ATOM 24 C LIG 1 -4.898 -1.895 -2.560 0.00 0.00 +0.162 C ATOM 25 O LIG 1 -5.490 -2.857 -1.686 0.00 0.00 -0.380 OA ATOM 26 C LIG 1 -4.535 -3.672 -1.020 0.00 0.00 +0.162 C ATOM 27 C LIG 1 -3.814 -2.840 0.030 0.00 0.00 +0.055 C ENDBRANCH 8 22 BRANCH 7 28 ATOM 28 N LIG 1 3.186 -0.602 0.159 0.00 0.00 -0.299 N ATOM 29 H LIG 1 3.566 -1.195 -0.573 0.00 0.00 +0.150 HD ATOM 30 C LIG 1 4.015 -0.119 1.142 0.00 0.00 +0.245 C ATOM 31 O LIG 1 3.606 0.321 2.209 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 5.474 -0.182 0.863 0.00 0.00 +0.037 A ATOM 33 C LIG 1 5.981 -0.058 -0.440 0.00 0.00 +0.025 A ATOM 34 C LIG 1 7.369 -0.099 -0.669 0.00 0.00 +0.056 A ATOM 35 C LIG 1 8.234 -0.272 0.424 0.00 0.00 +0.012 A ATOM 36 C LIG 1 7.730 -0.383 1.722 0.00 0.00 +0.001 A ATOM 37 C LIG 1 6.353 -0.330 1.942 0.00 0.00 +0.013 A BRANCH 34 38 ATOM 38 C LIG 1 7.903 0.058 -2.073 0.00 0.00 +0.417 C ATOM 39 F LIG 1 7.506 1.225 -2.653 0.00 0.00 -0.166 F ATOM 40 F LIG 1 9.263 0.049 -2.145 0.00 0.00 -0.166 F ATOM 41 F LIG 1 7.478 -0.935 -2.904 0.00 0.00 -0.166 F ENDBRANCH 34 38 ENDBRANCH 30 32 ENDBRANCH 7 28 BRANCH 6 42 ATOM 42 C LIG 1 1.373 1.461 -0.868 0.00 0.00 -0.001 C ATOM 43 C LIG 1 0.446 2.451 -1.536 0.00 0.00 +0.004 C ATOM 44 C LIG 1 0.875 1.212 -2.273 0.00 0.00 +0.004 C ENDBRANCH 6 42 BRANCH 1 46 ATOM 45 C LIG 1 -0.396 -4.383 -0.443 0.00 0.00 +0.025 C ATOM 46 C LIG 1 -0.680 -3.150 -1.294 0.00 0.00 +0.112 C ENDBRANCH 1 46 TORSDOF 8