REMARK Name = BDB007153 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.134 -2.285 -2.631 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -0.183 -1.244 -1.614 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.666 -0.803 -0.552 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.026 0.172 0.169 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.535 0.796 1.298 0.00 0.00 +0.027 A ATOM 6 C LIG 1 1.825 0.428 1.688 0.00 0.00 +0.015 A ATOM 7 C LIG 1 2.546 -0.529 0.974 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -1.262 0.324 -0.437 0.00 0.00 -0.339 N ATOM 9 C LIG 1 1.969 -1.161 -0.138 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -1.363 -0.518 -1.529 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -2.576 -0.591 -2.394 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 3.918 -0.873 1.440 0.00 0.00 +0.245 C ATOM 13 N LIG 1 4.801 -1.294 0.466 0.00 0.00 -0.305 N ATOM 14 H LIG 1 4.560 -1.103 -0.497 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 4.217 -0.744 2.622 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 6.215 -1.476 0.755 0.00 0.00 +0.100 C ATOM 17 C LIG 1 6.733 -2.724 0.039 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 6.970 -0.201 0.409 0.00 0.00 -0.027 A ATOM 19 C LIG 1 7.463 0.064 -0.879 0.00 0.00 +0.006 A ATOM 20 C LIG 1 8.127 1.262 -1.157 0.00 0.00 +0.015 A ATOM 21 C LIG 1 8.294 2.213 -0.152 0.00 0.00 +0.018 A ATOM 22 BR LIG 1 9.189 3.833 -0.532 0.00 0.00 -0.050 Br ATOM 23 C LIG 1 7.799 1.979 1.127 0.00 0.00 +0.015 A ATOM 24 C LIG 1 7.136 0.780 1.403 0.00 0.00 +0.006 A ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 25 ATOM 25 C LIG 1 -2.285 1.280 -0.008 0.00 0.00 +0.157 C BRANCH 25 26 ATOM 26 C LIG 1 -3.451 0.621 0.692 0.00 0.00 -0.024 A ATOM 27 C LIG 1 -4.764 0.853 0.238 0.00 0.00 +0.051 A ATOM 28 C LIG 1 -5.857 0.268 0.881 0.00 0.00 +0.122 A ATOM 29 C LIG 1 -5.636 -0.555 1.987 0.00 0.00 +0.046 A ATOM 30 C LIG 1 -4.344 -0.784 2.456 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -3.257 -0.195 1.815 0.00 0.00 +0.005 A BRANCH 28 32 ATOM 32 O LIG 1 -7.171 0.397 0.531 0.00 0.00 -0.478 OA BRANCH 32 33 ATOM 33 C LIG 1 -7.540 1.360 -0.458 0.00 0.00 +0.278 C ATOM 34 C LIG 1 -7.511 0.710 -1.838 0.00 0.00 +0.064 C BRANCH 33 35 ATOM 35 C LIG 1 -8.961 1.831 -0.153 0.00 0.00 +0.346 C ATOM 36 O LIG 1 -9.703 1.458 0.741 0.00 0.00 -0.247 OA BRANCH 35 37 ATOM 37 O LIG 1 -9.377 2.803 -0.997 0.00 0.00 -0.478 OA ATOM 38 H LIG 1 -10.281 3.012 -0.675 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 28 32 ENDBRANCH 25 26 ENDBRANCH 8 25 TORSDOF 9