REMARK Name = BDB047780 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -1.565 0.260 -1.275 0.00 0.00 -0.492 OA ENDROOT BRANCH 1 10 ATOM 2 C LIG 1 -3.550 0.423 -0.028 0.00 0.00 +0.040 A ATOM 3 C LIG 1 -4.671 -0.236 0.492 0.00 0.00 +0.174 A ATOM 4 C LIG 1 -4.948 -1.582 0.334 0.00 0.00 +0.054 A ATOM 5 C LIG 1 -6.175 -1.771 1.028 0.00 0.00 +0.193 A ATOM 6 N LIG 1 -6.603 -0.619 1.572 0.00 0.00 -0.073 NA ATOM 7 C LIG 1 -4.051 -2.372 -0.401 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.912 -1.760 -0.945 0.00 0.00 +0.047 A ATOM 9 O LIG 1 -5.663 0.335 1.229 0.00 0.00 -0.354 OA ATOM 10 C LIG 1 -2.658 -0.393 -0.762 0.00 0.00 +0.127 A BRANCH 5 11 ATOM 11 C LIG 1 -6.928 -3.043 1.188 0.00 0.00 +0.438 C ATOM 12 F LIG 1 -8.256 -2.864 1.429 0.00 0.00 -0.164 F ATOM 13 F LIG 1 -6.440 -3.793 2.215 0.00 0.00 -0.164 F ATOM 14 F LIG 1 -6.845 -3.826 0.074 0.00 0.00 -0.164 F ENDBRANCH 5 11 BRANCH 2 15 ATOM 15 C LIG 1 -3.314 1.899 0.172 0.00 0.00 +0.042 C BRANCH 15 17 ATOM 16 C LIG 1 -5.162 2.780 -1.351 0.00 0.00 +0.004 C ATOM 17 C LIG 1 -3.670 2.754 -1.048 0.00 0.00 +0.001 C ENDBRANCH 15 17 ENDBRANCH 2 15 ENDBRANCH 1 10 BRANCH 1 18 ATOM 18 C LIG 1 -0.506 -0.534 -1.812 0.00 0.00 +0.230 C BRANCH 18 19 ATOM 19 C LIG 1 0.671 0.378 -2.147 0.00 0.00 +0.060 C BRANCH 19 20 ATOM 20 C LIG 1 1.243 1.120 -0.935 0.00 0.00 +0.108 C BRANCH 20 21 ATOM 21 N LIG 1 1.817 0.179 0.053 0.00 0.00 -0.330 N BRANCH 21 22 ATOM 22 C LIG 1 3.216 0.276 0.151 0.00 0.00 +0.030 A ATOM 23 C LIG 1 4.009 -0.164 -0.921 0.00 0.00 +0.023 A ATOM 24 C LIG 1 5.407 -0.089 -0.885 0.00 0.00 +0.006 A ATOM 25 C LIG 1 6.057 0.443 0.232 0.00 0.00 -0.037 A ATOM 26 C LIG 1 5.282 0.879 1.312 0.00 0.00 +0.006 A ATOM 27 C LIG 1 3.884 0.796 1.268 0.00 0.00 +0.023 A BRANCH 25 28 ATOM 28 C LIG 1 7.563 0.521 0.283 0.00 0.00 +0.155 C BRANCH 28 29 ATOM 29 C LIG 1 8.219 -0.659 0.957 0.00 0.00 +0.309 C ATOM 30 O LIG 1 7.695 -1.609 1.512 0.00 0.00 -0.251 OA BRANCH 29 31 ATOM 31 O LIG 1 9.568 -0.573 0.908 0.00 0.00 -0.480 OA ATOM 32 H LIG 1 9.866 -1.381 1.379 0.00 0.00 +0.295 HD ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 21 22 BRANCH 21 33 ATOM 33 C LIG 1 1.032 0.030 1.292 0.00 0.00 +0.102 C ATOM 34 C LIG 1 1.280 -1.321 1.949 0.00 0.00 +0.024 C ENDBRANCH 21 33 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 1 18 TORSDOF 13