REMARK Name = BDB060737 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.447 0.760 -0.244 0.00 0.00 -0.487 OA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.707 1.094 -0.660 0.00 0.00 +0.125 A ATOM 3 C LIG 1 2.696 0.176 -0.278 0.00 0.00 +0.092 A ATOM 4 C LIG 1 3.998 0.428 -0.654 0.00 0.00 +0.143 A ATOM 5 O LIG 1 5.085 -0.363 -0.366 0.00 0.00 -0.451 OA ATOM 6 C LIG 1 6.179 0.273 -0.941 0.00 0.00 +0.176 C ATOM 7 C LIG 1 5.761 1.529 -1.620 0.00 0.00 +0.231 C ATOM 8 O LIG 1 6.435 2.338 -2.220 0.00 0.00 -0.283 OA ATOM 9 C LIG 1 7.452 -0.141 -0.897 0.00 0.00 +0.058 C ATOM 10 C LIG 1 4.323 1.561 -1.391 0.00 0.00 +0.068 A ATOM 11 C LIG 1 3.377 2.485 -1.783 0.00 0.00 +0.019 A ATOM 12 C LIG 1 2.049 2.241 -1.408 0.00 0.00 +0.046 A BRANCH 9 13 ATOM 13 C LIG 1 7.932 -1.359 -0.233 0.00 0.00 -0.021 A ATOM 14 C LIG 1 7.256 -2.583 -0.331 0.00 0.00 +0.009 A ATOM 15 C LIG 1 7.764 -3.727 0.291 0.00 0.00 +0.020 A ATOM 16 C LIG 1 8.957 -3.656 1.006 0.00 0.00 +0.041 A ATOM 17 CL LIG 1 9.583 -5.064 1.770 0.00 0.00 -0.084 Cl ATOM 18 C LIG 1 9.650 -2.452 1.098 0.00 0.00 +0.020 A ATOM 19 C LIG 1 9.141 -1.308 0.475 0.00 0.00 +0.009 A ENDBRANCH 9 13 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 C LIG 1 -0.617 1.643 -0.596 0.00 0.00 +0.264 C BRANCH 20 27 ATOM 21 C LIG 1 -4.027 -2.037 -0.624 0.00 0.00 +0.047 C ATOM 22 C LIG 1 -3.591 -0.705 -0.084 0.00 0.00 -0.008 A ATOM 23 C LIG 1 -4.353 0.019 0.848 0.00 0.00 +0.128 A ATOM 24 C LIG 1 -3.850 1.205 1.407 0.00 0.00 -0.008 A ATOM 25 C LIG 1 -4.566 1.949 2.498 0.00 0.00 +0.047 C ATOM 26 C LIG 1 -2.643 1.733 0.919 0.00 0.00 +0.014 A ATOM 27 C LIG 1 -1.910 1.068 -0.070 0.00 0.00 -0.010 A ATOM 28 C LIG 1 -2.388 -0.156 -0.555 0.00 0.00 +0.014 A BRANCH 23 29 ATOM 29 O LIG 1 -5.547 -0.493 1.285 0.00 0.00 -0.475 OA BRANCH 29 30 ATOM 30 C LIG 1 -6.715 -0.017 0.592 0.00 0.00 +0.200 C ATOM 31 C LIG 1 -7.678 0.509 1.675 0.00 0.00 +0.067 C ATOM 32 C LIG 1 -7.405 -1.246 -0.031 0.00 0.00 +0.067 C BRANCH 30 33 ATOM 33 C LIG 1 -6.574 1.090 -0.487 0.00 0.00 +0.348 C ATOM 34 O LIG 1 -6.741 2.291 -0.328 0.00 0.00 -0.247 OA BRANCH 33 35 ATOM 35 O LIG 1 -6.210 0.631 -1.705 0.00 0.00 -0.478 OA ATOM 36 H LIG 1 -6.097 1.447 -2.236 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 30 33 ENDBRANCH 29 30 ENDBRANCH 23 29 ENDBRANCH 20 27 ENDBRANCH 1 20 TORSDOF 8