REMARK Name = BDB034424 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.323 0.160 1.047 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -1.506 0.044 0.258 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -2.169 1.237 -0.123 0.00 0.00 +0.076 A ATOM 4 C LIG 1 -3.307 1.165 -0.914 0.00 0.00 +0.074 A ATOM 5 C LIG 1 -3.838 -0.059 -1.323 0.00 0.00 +0.131 A ATOM 6 C LIG 1 -3.206 -1.239 -0.956 0.00 0.00 +0.047 A ATOM 7 N LIG 1 -1.749 2.455 0.250 0.00 0.00 -0.255 NA ATOM 8 C LIG 1 -0.672 2.530 1.051 0.00 0.00 +0.113 A ATOM 9 C LIG 1 -2.058 -1.190 -0.166 0.00 0.00 +0.015 A ATOM 10 C LIG 1 0.052 1.434 1.479 0.00 0.00 +0.043 A ENDROOT BRANCH 1 11 ATOM 11 N LIG 1 0.368 -1.001 1.465 0.00 0.00 -0.343 N ATOM 12 H LIG 1 0.338 -1.705 0.731 0.00 0.00 +0.146 HD BRANCH 11 13 ATOM 13 C LIG 1 1.711 -0.876 2.033 0.00 0.00 +0.103 C BRANCH 13 14 ATOM 14 C LIG 1 2.297 -2.269 2.268 0.00 0.00 +0.034 C BRANCH 14 15 ATOM 15 C LIG 1 3.693 -2.242 2.906 0.00 0.00 +0.083 C BRANCH 15 16 ATOM 16 N LIG 1 4.730 -1.536 2.156 0.00 0.00 -0.312 NA ATOM 17 H LIG 1 4.428 -0.592 1.921 0.00 0.00 +0.122 HD BRANCH 16 18 ATOM 18 C LIG 1 5.109 -2.219 0.919 0.00 0.00 +0.120 C BRANCH 18 20 ATOM 19 C LIG 1 5.490 -0.380 -0.806 0.00 0.00 +0.125 A ATOM 20 C LIG 1 6.016 -1.340 0.086 0.00 0.00 +0.011 A ATOM 21 C LIG 1 7.408 -1.455 0.233 0.00 0.00 +0.046 A ATOM 22 C LIG 1 8.254 -0.646 -0.514 0.00 0.00 +0.124 A ATOM 23 F LIG 1 9.580 -0.766 -0.371 0.00 0.00 -0.205 F ATOM 24 C LIG 1 7.744 0.287 -1.406 0.00 0.00 +0.042 A ATOM 25 C LIG 1 6.361 0.424 -1.552 0.00 0.00 +0.049 A BRANCH 19 27 ATOM 26 C LIG 1 3.548 0.666 -1.728 0.00 0.00 +0.277 C ATOM 27 O LIG 1 4.122 -0.307 -0.863 0.00 0.00 -0.495 OA ENDBRANCH 19 27 ENDBRANCH 18 20 ENDBRANCH 16 18 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 11 13 ENDBRANCH 1 11 BRANCH 5 28 ATOM 28 O LIG 1 -4.952 -0.194 -2.125 0.00 0.00 -0.452 OA BRANCH 28 29 ATOM 29 C LIG 1 -5.950 0.746 -1.983 0.00 0.00 +0.170 A ATOM 30 C LIG 1 -6.729 0.841 -0.819 0.00 0.00 +0.162 A ATOM 31 C LIG 1 -7.741 1.805 -0.768 0.00 0.00 +0.049 A ATOM 32 C LIG 1 -7.973 2.648 -1.861 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -7.206 2.528 -3.019 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -6.199 1.570 -3.085 0.00 0.00 +0.050 A BRANCH 30 35 ATOM 35 O LIG 1 -6.456 -0.054 0.181 0.00 0.00 -0.491 OA ATOM 36 C LIG 1 -7.005 0.222 1.462 0.00 0.00 +0.277 C ENDBRANCH 30 35 ENDBRANCH 28 29 ENDBRANCH 5 28 TORSDOF 11