REMARK Name = BDB011142 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.521 2.805 -1.483 0.00 0.00 +0.161 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -2.024 1.427 0.030 0.00 0.00 +0.221 A ATOM 3 C LIG 1 -1.542 2.667 -0.377 0.00 0.00 +0.044 A ATOM 4 C LIG 1 -2.015 3.789 0.316 0.00 0.00 +0.021 A ATOM 5 C LIG 1 -2.945 3.643 1.352 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -3.377 2.341 1.670 0.00 0.00 +0.075 A ATOM 7 C LIG 1 -4.301 2.189 2.696 0.00 0.00 +0.028 A ATOM 8 C LIG 1 -4.798 3.286 3.406 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -4.367 4.569 3.089 0.00 0.00 +0.001 A ATOM 10 C LIG 1 -3.442 4.750 2.063 0.00 0.00 +0.010 A ATOM 11 N LIG 1 -2.929 1.255 1.020 0.00 0.00 -0.213 NA BRANCH 2 12 ATOM 12 O LIG 1 -1.570 0.316 -0.653 0.00 0.00 -0.476 OA BRANCH 12 13 ATOM 13 C LIG 1 -1.893 -0.940 -0.051 0.00 0.00 +0.231 C BRANCH 13 14 ATOM 14 C LIG 1 -3.214 -1.475 -0.601 0.00 0.00 +0.041 C BRANCH 14 15 ATOM 15 C LIG 1 -3.550 -2.845 -0.015 0.00 0.00 +0.003 C BRANCH 15 17 ATOM 16 C LIG 1 -5.201 -4.748 0.002 0.00 0.00 +0.004 C ATOM 17 C LIG 1 -4.862 -3.386 -0.581 0.00 0.00 -0.003 C ENDBRANCH 15 17 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 2 12 ENDBRANCH 1 3 BRANCH 1 18 ATOM 18 O LIG 1 -0.889 3.909 -2.326 0.00 0.00 -0.386 OA ATOM 19 H LIG 1 -1.825 3.778 -2.560 0.00 0.00 +0.210 HD ENDBRANCH 1 18 BRANCH 1 20 ATOM 20 C LIG 1 0.905 3.047 -0.961 0.00 0.00 +0.125 C BRANCH 20 21 ATOM 21 C LIG 1 1.470 1.867 -0.287 0.00 0.00 -0.099 C ATOM 22 C LIG 1 1.909 0.895 0.266 0.00 0.00 -0.102 C BRANCH 22 23 ATOM 23 C LIG 1 2.423 -0.306 0.943 0.00 0.00 +0.089 C BRANCH 23 24 ATOM 24 C LIG 1 2.521 -1.500 -0.012 0.00 0.00 +0.022 C BRANCH 24 25 ATOM 25 C LIG 1 3.582 -1.333 -1.101 0.00 0.00 +0.097 C BRANCH 25 26 ATOM 26 C LIG 1 5.000 -1.382 -0.563 0.00 0.00 +0.213 C ATOM 27 N LIG 1 5.942 -0.985 -1.485 0.00 0.00 -0.313 N ATOM 28 H LIG 1 5.652 -0.737 -2.423 0.00 0.00 +0.149 HD ATOM 29 O LIG 1 5.288 -1.769 0.564 0.00 0.00 -0.276 OA BRANCH 27 30 ATOM 30 C LIG 1 7.356 -0.995 -1.173 0.00 0.00 +0.132 C BRANCH 30 31 ATOM 31 C LIG 1 7.969 -2.395 -1.231 0.00 0.00 +0.174 C BRANCH 31 32 ATOM 32 O LIG 1 9.355 -2.345 -0.911 0.00 0.00 -0.393 OA ATOM 33 H LIG 1 9.418 -2.161 0.044 0.00 0.00 +0.209 HD ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 16