REMARK Name = BDB058819 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.512 -0.277 -0.834 0.00 0.00 +0.021 A ATOM 2 C LIG 1 -2.019 0.612 0.132 0.00 0.00 +0.128 A ATOM 3 C LIG 1 -1.129 1.262 0.988 0.00 0.00 +0.050 A ATOM 4 C LIG 1 0.244 1.012 0.897 0.00 0.00 +0.049 A ATOM 5 C LIG 1 0.751 0.122 -0.051 0.00 0.00 +0.122 A ATOM 6 C LIG 1 -0.130 -0.519 -0.919 0.00 0.00 +0.057 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -2.946 -2.196 -1.539 0.00 0.00 +0.037 C ATOM 8 C LIG 1 -2.403 -0.983 -1.767 0.00 0.00 +0.022 C BRANCH 7 9 ATOM 9 C LIG 1 -3.815 -2.718 -2.622 0.00 0.00 +0.333 C ATOM 10 O LIG 1 -4.083 -2.163 -3.673 0.00 0.00 -0.245 OA BRANCH 9 11 ATOM 11 O LIG 1 -4.312 -3.934 -2.346 0.00 0.00 -0.477 OA ATOM 12 H LIG 1 -4.856 -4.141 -3.135 0.00 0.00 +0.295 HD ENDBRANCH 9 11 ENDBRANCH 7 9 BRANCH 7 13 ATOM 13 C LIG 1 -2.713 -3.041 -0.310 0.00 0.00 +0.042 C BRANCH 13 15 ATOM 14 C LIG 1 -3.608 -3.789 1.924 0.00 0.00 +0.004 C ATOM 15 C LIG 1 -3.870 -2.943 0.688 0.00 0.00 +0.001 C ENDBRANCH 13 15 ENDBRANCH 7 13 ENDBRANCH 1 8 BRANCH 2 16 ATOM 16 O LIG 1 -3.376 0.807 0.129 0.00 0.00 -0.487 OA BRANCH 16 17 ATOM 17 C LIG 1 -3.990 1.314 1.316 0.00 0.00 +0.264 C BRANCH 17 18 ATOM 18 C LIG 1 -4.111 2.822 1.321 0.00 0.00 -0.010 A ATOM 19 C LIG 1 -4.279 3.543 0.127 0.00 0.00 +0.010 A ATOM 20 C LIG 1 -4.416 4.932 0.151 0.00 0.00 +0.039 A ATOM 21 C LIG 1 -4.396 5.601 1.368 0.00 0.00 +0.123 A ATOM 22 F LIG 1 -4.528 6.934 1.391 0.00 0.00 -0.205 F ATOM 23 C LIG 1 -4.247 4.908 2.562 0.00 0.00 +0.039 A ATOM 24 C LIG 1 -4.110 3.519 2.541 0.00 0.00 +0.010 A ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 2 16 BRANCH 5 25 ATOM 25 O LIG 1 2.110 -0.023 -0.026 0.00 0.00 -0.487 OA BRANCH 25 26 ATOM 26 C LIG 1 2.689 -0.916 -0.977 0.00 0.00 +0.264 C BRANCH 26 27 ATOM 27 C LIG 1 4.191 -0.900 -0.806 0.00 0.00 -0.010 A ATOM 28 C LIG 1 4.895 0.317 -0.817 0.00 0.00 +0.017 A ATOM 29 C LIG 1 6.293 0.356 -0.680 0.00 0.00 +0.002 A ATOM 30 C LIG 1 6.991 1.571 -0.683 0.00 0.00 +0.011 A ATOM 31 C LIG 1 8.374 1.596 -0.547 0.00 0.00 +0.022 A ATOM 32 C LIG 1 9.065 0.399 -0.409 0.00 0.00 +0.134 A ATOM 33 N LIG 1 8.414 -0.826 -0.402 0.00 0.00 -0.139 N ATOM 34 O LIG 1 9.103 -1.895 -0.274 0.00 0.00 -0.164 OA ATOM 35 C LIG 1 7.007 -0.859 -0.538 0.00 0.00 +0.092 A ATOM 36 C LIG 1 6.295 -2.075 -0.537 0.00 0.00 +0.030 A ATOM 37 C LIG 1 4.905 -2.095 -0.672 0.00 0.00 +0.009 A ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 5 25 TORSDOF 11