REMARK Name = BDB047259 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.823 -1.960 -0.547 0.00 0.00 +0.232 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 -1.963 -0.673 0.054 0.00 0.00 -0.492 OA BRANCH 2 9 ATOM 3 C LIG 1 -8.038 -0.400 -0.001 0.00 0.00 +0.206 C ATOM 4 O LIG 1 -6.750 -1.073 -0.065 0.00 0.00 -0.474 OA ATOM 5 C LIG 1 -5.652 -0.336 0.295 0.00 0.00 +0.129 A ATOM 6 C LIG 1 -5.727 0.897 0.947 0.00 0.00 -0.005 A ATOM 7 C LIG 1 -4.542 1.574 1.255 0.00 0.00 +0.011 A ATOM 8 C LIG 1 -3.306 1.008 0.936 0.00 0.00 +0.046 A ATOM 9 C LIG 1 -3.233 -0.234 0.305 0.00 0.00 +0.124 A ATOM 10 C LIG 1 -7.050 1.514 1.290 0.00 0.00 +0.043 C ATOM 11 C LIG 1 -4.413 -0.905 -0.015 0.00 0.00 +0.091 A ATOM 12 C LIG 1 -8.142 0.459 1.264 0.00 0.00 +0.064 C BRANCH 3 14 ATOM 13 C LIG 1 -9.490 1.214 -1.430 0.00 0.00 +0.008 C ATOM 14 C LIG 1 -8.254 0.329 -1.346 0.00 0.00 +0.056 C ENDBRANCH 3 14 BRANCH 3 15 ATOM 15 C LIG 1 -9.070 -1.540 0.118 0.00 0.00 +0.349 C ATOM 16 O LIG 1 -10.266 -1.381 0.320 0.00 0.00 -0.246 OA BRANCH 15 17 ATOM 17 O LIG 1 -8.527 -2.776 -0.025 0.00 0.00 -0.478 OA ATOM 18 H LIG 1 -7.555 -2.688 -0.142 0.00 0.00 +0.295 HD ENDBRANCH 15 17 ENDBRANCH 3 15 ENDBRANCH 2 9 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 -0.337 -2.258 -0.709 0.00 0.00 +0.082 C BRANCH 19 20 ATOM 20 C LIG 1 0.379 -2.333 0.637 0.00 0.00 +0.232 C BRANCH 20 21 ATOM 21 O LIG 1 1.758 -2.650 0.446 0.00 0.00 -0.490 OA BRANCH 21 22 ATOM 22 C LIG 1 2.668 -1.634 0.326 0.00 0.00 +0.139 A ATOM 23 C LIG 1 4.023 -1.995 0.332 0.00 0.00 +0.083 A ATOM 24 CL LIG 1 4.513 -3.648 0.498 0.00 0.00 -0.080 Cl ATOM 25 C LIG 1 5.030 -1.028 0.206 0.00 0.00 +0.027 A ATOM 26 C LIG 1 4.714 0.327 0.066 0.00 0.00 -0.043 A ATOM 27 C LIG 1 3.355 0.679 0.052 0.00 0.00 +0.007 A ATOM 28 C LIG 1 2.346 -0.285 0.178 0.00 0.00 +0.047 A BRANCH 26 29 ATOM 29 C LIG 1 5.764 1.422 -0.074 0.00 0.00 +0.019 C ATOM 30 C LIG 1 6.584 1.333 -1.377 0.00 0.00 +0.009 C ATOM 31 C LIG 1 7.813 0.429 -1.295 0.00 0.00 +0.007 C ATOM 32 C LIG 1 8.644 0.758 -0.079 0.00 0.00 -0.029 C ATOM 33 C LIG 1 10.092 0.322 -0.070 0.00 0.00 +0.007 C ATOM 34 C LIG 1 9.753 1.780 -0.216 0.00 0.00 +0.007 C ATOM 35 C LIG 1 7.879 0.695 1.221 0.00 0.00 +0.007 C ATOM 36 C LIG 1 6.649 1.600 1.175 0.00 0.00 +0.009 C ENDBRANCH 26 29 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 10