REMARK Name = BDB036157 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.738 -0.974 -2.688 0.00 0.00 +0.280 A ATOM 2 C LIG 1 -2.631 -1.804 -2.885 0.00 0.00 +0.187 A ATOM 3 N LIG 1 -2.755 -2.931 -3.625 0.00 0.00 -0.214 NA ATOM 4 C LIG 1 -3.980 -3.185 -4.109 0.00 0.00 +0.247 A ATOM 5 N LIG 1 -5.076 -2.424 -3.920 0.00 0.00 -0.134 NA ATOM 6 N LIG 1 -4.955 -1.295 -3.189 0.00 0.00 -0.106 NA ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 -1.353 -1.499 -2.373 0.00 0.00 -0.310 N ATOM 8 C LIG 1 -0.274 -2.439 -2.257 0.00 0.00 +0.115 C ATOM 9 C LIG 1 0.396 -1.433 -1.288 0.00 0.00 +0.004 C ATOM 10 C LIG 1 1.349 -0.422 -1.951 0.00 0.00 +0.025 C ATOM 11 C LIG 1 2.796 -0.793 -1.634 0.00 0.00 +0.085 C ATOM 12 N LIG 1 3.067 -0.677 -0.193 0.00 0.00 -0.302 NA ATOM 13 C LIG 1 1.955 -1.139 0.655 0.00 0.00 +0.085 C ATOM 14 C LIG 1 1.012 -2.107 -0.057 0.00 0.00 +0.025 C ATOM 15 C LIG 1 -1.047 -0.887 -1.109 0.00 0.00 +0.115 C BRANCH 12 16 ATOM 16 C LIG 1 4.364 -1.270 0.152 0.00 0.00 +0.088 C BRANCH 16 17 ATOM 17 C LIG 1 4.953 -0.729 1.476 0.00 0.00 +0.006 C ATOM 18 C LIG 1 5.049 0.819 1.551 0.00 0.00 -0.006 C ATOM 19 C LIG 1 6.108 1.348 0.562 0.00 0.00 +0.015 C ATOM 20 C LIG 1 7.507 0.748 0.896 0.00 0.00 +0.018 C ATOM 21 C LIG 1 7.365 -0.227 2.095 0.00 0.00 -0.001 C ATOM 22 C LIG 1 6.822 0.529 3.323 0.00 0.00 +0.004 C ATOM 23 C LIG 1 8.135 0.100 -0.337 0.00 0.00 +0.131 C ATOM 24 C LIG 1 8.798 1.260 -1.018 0.00 0.00 +0.308 C ATOM 25 O LIG 1 9.172 1.280 -2.178 0.00 0.00 -0.251 OA ATOM 26 O LIG 1 8.963 2.286 -0.135 0.00 0.00 -0.464 OA ATOM 27 C LIG 1 8.526 1.857 1.155 0.00 0.00 +0.239 C ATOM 28 C LIG 1 5.491 1.206 2.977 0.00 0.00 +0.004 C ATOM 29 C LIG 1 6.353 -1.336 1.739 0.00 0.00 +0.009 C ENDBRANCH 16 17 ENDBRANCH 12 16 ENDBRANCH 2 7 BRANCH 1 30 ATOM 30 O LIG 1 -3.599 0.171 -1.924 0.00 0.00 -0.434 OA BRANCH 30 32 ATOM 31 C LIG 1 -5.034 1.818 -0.965 0.00 0.00 +0.082 A ATOM 32 C LIG 1 -4.494 1.199 -2.103 0.00 0.00 +0.143 A ATOM 33 C LIG 1 -4.784 1.713 -3.374 0.00 0.00 +0.050 A ATOM 34 C LIG 1 -5.620 2.824 -3.500 0.00 0.00 +0.042 A ATOM 35 C LIG 1 -6.126 3.440 -2.359 0.00 0.00 +0.124 A ATOM 36 F LIG 1 -6.904 4.522 -2.486 0.00 0.00 -0.205 F ATOM 37 C LIG 1 -5.826 2.962 -1.091 0.00 0.00 +0.055 A BRANCH 31 39 ATOM 38 N LIG 1 -5.566 0.805 1.265 0.00 0.00 -0.292 N ATOM 39 C LIG 1 -4.635 1.379 0.382 0.00 0.00 +0.251 C ATOM 40 O LIG 1 -3.459 1.593 0.681 0.00 0.00 -0.270 OA BRANCH 38 42 ATOM 41 C LIG 1 -6.078 0.983 3.723 0.00 0.00 +0.028 C ATOM 42 C LIG 1 -5.072 0.571 2.644 0.00 0.00 +0.070 C ATOM 43 C LIG 1 -4.599 -0.873 2.830 0.00 0.00 +0.028 C ENDBRANCH 38 42 BRANCH 38 44 ATOM 44 C LIG 1 -6.869 0.189 0.892 0.00 0.00 +0.070 C ATOM 45 C LIG 1 -6.778 -0.815 -0.256 0.00 0.00 +0.028 C ATOM 46 C LIG 1 -7.991 1.201 0.674 0.00 0.00 +0.028 C ENDBRANCH 38 44 ENDBRANCH 31 39 ENDBRANCH 30 32 ENDBRANCH 1 30 TORSDOF 8