REMARK Name = BDB019854 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.279 0.711 -0.402 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -1.257 1.698 -0.580 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -2.597 1.349 -0.797 0.00 0.00 -0.016 A ATOM 4 C LIG 1 -2.929 -0.012 -0.868 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -1.969 -1.018 -0.670 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -0.635 -0.644 -0.453 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -3.637 2.382 -0.920 0.00 0.00 -0.000 A ATOM 8 C LIG 1 -4.638 2.561 0.065 0.00 0.00 +0.062 A ATOM 9 C LIG 1 -5.615 3.554 -0.092 0.00 0.00 +0.057 A ATOM 10 C LIG 1 -5.595 4.367 -1.218 0.00 0.00 +0.125 A ATOM 11 F LIG 1 -6.530 5.314 -1.361 0.00 0.00 -0.205 F ATOM 12 C LIG 1 -4.621 4.214 -2.195 0.00 0.00 +0.039 A ATOM 13 C LIG 1 -3.645 3.227 -2.046 0.00 0.00 +0.012 A BRANCH 8 14 ATOM 14 C LIG 1 -4.672 1.750 1.252 0.00 0.00 +0.100 C ATOM 15 N LIG 1 -4.700 1.097 2.212 0.00 0.00 -0.191 NA ENDBRANCH 8 14 ENDBRANCH 3 7 BRANCH 1 18 ATOM 16 N LIG 1 1.900 0.334 0.614 0.00 0.00 -0.304 N ATOM 17 H LIG 1 1.502 -0.472 1.068 0.00 0.00 +0.150 HD ATOM 18 C LIG 1 1.125 1.150 -0.179 0.00 0.00 +0.245 C ATOM 19 O LIG 1 1.517 2.204 -0.665 0.00 0.00 -0.270 OA BRANCH 16 20 ATOM 20 C LIG 1 3.303 0.612 0.859 0.00 0.00 +0.107 C BRANCH 20 27 ATOM 21 C LIG 1 7.451 0.722 -2.020 0.00 0.00 +0.047 C ATOM 22 C LIG 1 6.214 0.013 -1.558 0.00 0.00 -0.015 A ATOM 23 C LIG 1 5.923 -1.270 -2.019 0.00 0.00 +0.126 A ATOM 24 F LIG 1 6.743 -1.867 -2.897 0.00 0.00 -0.205 F ATOM 25 C LIG 1 4.794 -1.954 -1.585 0.00 0.00 +0.039 A ATOM 26 C LIG 1 3.934 -1.356 -0.663 0.00 0.00 +0.008 A ATOM 27 C LIG 1 4.201 -0.070 -0.163 0.00 0.00 -0.027 A ATOM 28 C LIG 1 5.353 0.601 -0.621 0.00 0.00 +0.011 A ENDBRANCH 20 27 BRANCH 20 29 ATOM 29 C LIG 1 3.602 0.261 2.299 0.00 0.00 +0.014 C ATOM 30 C LIG 1 4.902 -0.339 2.787 0.00 0.00 +0.006 C ATOM 31 C LIG 1 3.641 -1.160 2.820 0.00 0.00 +0.006 C ENDBRANCH 20 29 ENDBRANCH 16 20 ENDBRANCH 1 18 BRANCH 5 32 ATOM 32 C LIG 1 -2.370 -2.478 -0.701 0.00 0.00 +0.144 C BRANCH 32 33 ATOM 33 N LIG 1 -3.423 -2.782 0.243 0.00 0.00 -0.278 N ATOM 34 C LIG 1 -4.737 -2.835 -0.084 0.00 0.00 +0.278 C ATOM 35 N LIG 1 -5.293 -2.831 -1.235 0.00 0.00 -0.253 NA ATOM 36 H LIG 1 -6.302 -2.882 -1.058 0.00 0.00 +0.191 HD ATOM 37 O LIG 1 -5.518 -2.876 1.025 0.00 0.00 -0.464 OA ATOM 38 C LIG 1 -4.648 -2.929 2.169 0.00 0.00 +0.251 C ATOM 39 C LIG 1 -3.264 -2.554 1.657 0.00 0.00 +0.151 C ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 8