REMARK Name = BDB046701 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.512 0.941 -0.580 0.00 0.00 +0.232 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 -1.823 0.981 -1.146 0.00 0.00 -0.492 OA BRANCH 2 4 ATOM 3 C LIG 1 -4.037 0.186 -1.229 0.00 0.00 -0.002 A ATOM 4 C LIG 1 -2.736 0.059 -0.704 0.00 0.00 +0.124 A ATOM 5 C LIG 1 -2.454 -0.969 0.202 0.00 0.00 +0.049 A ATOM 6 C LIG 1 -3.457 -1.855 0.603 0.00 0.00 +0.050 A ATOM 7 C LIG 1 -4.752 -1.709 0.113 0.00 0.00 +0.129 A ATOM 8 C LIG 1 -5.040 -0.707 -0.814 0.00 0.00 +0.053 A BRANCH 3 9 ATOM 9 C LIG 1 -4.392 1.281 -2.211 0.00 0.00 +0.038 C BRANCH 9 11 ATOM 10 C LIG 1 -5.107 3.680 -2.492 0.00 0.00 +0.004 C ATOM 11 C LIG 1 -4.744 2.588 -1.499 0.00 0.00 +0.001 C ENDBRANCH 9 11 ENDBRANCH 3 9 BRANCH 7 12 ATOM 12 O LIG 1 -5.686 -2.630 0.529 0.00 0.00 -0.456 OA BRANCH 12 13 ATOM 13 C LIG 1 -6.917 -2.151 0.917 0.00 0.00 +0.128 A ATOM 14 C LIG 1 -8.038 -2.846 0.461 0.00 0.00 +0.046 A ATOM 15 C LIG 1 -9.315 -2.433 0.842 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -9.469 -1.336 1.691 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -8.347 -0.656 2.165 0.00 0.00 +0.004 A ATOM 18 C LIG 1 -7.069 -1.067 1.786 0.00 0.00 +0.046 A ENDBRANCH 12 13 ENDBRANCH 7 12 ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 0.287 2.091 -1.187 0.00 0.00 +0.082 C BRANCH 19 20 ATOM 20 C LIG 1 1.676 2.213 -0.572 0.00 0.00 +0.232 C BRANCH 20 21 ATOM 21 O LIG 1 2.393 1.003 -0.811 0.00 0.00 -0.492 OA BRANCH 21 22 ATOM 22 C LIG 1 3.664 0.923 -0.313 0.00 0.00 +0.121 A ATOM 23 C LIG 1 4.311 -0.292 -0.561 0.00 0.00 +0.052 A ATOM 24 C LIG 1 5.622 -0.518 -0.115 0.00 0.00 -0.002 A ATOM 25 C LIG 1 6.292 -1.829 -0.391 0.00 0.00 +0.043 C ATOM 26 C LIG 1 7.796 -1.698 -0.218 0.00 0.00 +0.064 C ATOM 27 C LIG 1 8.141 -0.944 1.074 0.00 0.00 +0.203 C ATOM 28 O LIG 1 7.540 0.362 1.107 0.00 0.00 -0.474 OA ATOM 29 C LIG 1 7.740 -1.697 2.350 0.00 0.00 +0.068 C ATOM 30 C LIG 1 6.272 0.480 0.609 0.00 0.00 +0.125 A ATOM 31 C LIG 1 5.637 1.697 0.849 0.00 0.00 +0.049 A ATOM 32 C LIG 1 4.335 1.921 0.390 0.00 0.00 +0.049 A BRANCH 27 33 ATOM 33 C LIG 1 9.661 -0.721 1.110 0.00 0.00 +0.349 C ATOM 34 O LIG 1 10.261 0.343 1.133 0.00 0.00 -0.246 OA BRANCH 33 35 ATOM 35 O LIG 1 10.371 -1.873 1.118 0.00 0.00 -0.478 OA ATOM 36 H LIG 1 11.302 -1.563 1.145 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 27 33 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 12