REMARK Name = BDB046691 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.673 0.169 1.293 0.00 0.00 +0.229 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 1.606 -0.816 0.851 0.00 0.00 -0.492 OA BRANCH 2 4 ATOM 3 C LIG 1 3.804 -1.444 0.291 0.00 0.00 -0.002 A ATOM 4 C LIG 1 2.904 -0.423 0.653 0.00 0.00 +0.124 A ATOM 5 C LIG 1 3.367 0.890 0.789 0.00 0.00 +0.049 A ATOM 6 C LIG 1 4.714 1.194 0.570 0.00 0.00 +0.050 A ATOM 7 C LIG 1 5.603 0.186 0.200 0.00 0.00 +0.129 A ATOM 8 C LIG 1 5.157 -1.129 0.082 0.00 0.00 +0.053 A BRANCH 3 9 ATOM 9 C LIG 1 3.356 -2.882 0.154 0.00 0.00 +0.038 C BRANCH 9 11 ATOM 10 C LIG 1 2.884 -5.046 1.355 0.00 0.00 +0.004 C ATOM 11 C LIG 1 3.331 -3.601 1.504 0.00 0.00 +0.001 C ENDBRANCH 9 11 ENDBRANCH 3 9 BRANCH 7 12 ATOM 12 O LIG 1 6.946 0.413 0.007 0.00 0.00 -0.456 OA BRANCH 12 13 ATOM 13 C LIG 1 7.298 1.477 -0.793 0.00 0.00 +0.128 A ATOM 14 C LIG 1 8.335 2.293 -0.340 0.00 0.00 +0.046 A ATOM 15 C LIG 1 8.763 3.369 -1.118 0.00 0.00 +0.004 A ATOM 16 C LIG 1 8.165 3.618 -2.354 0.00 0.00 +0.000 A ATOM 17 C LIG 1 7.145 2.787 -2.817 0.00 0.00 +0.004 A ATOM 18 C LIG 1 6.714 1.709 -2.041 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 -0.674 -0.525 1.484 0.00 0.00 +0.044 C BRANCH 19 20 ATOM 20 C LIG 1 -1.746 0.366 2.117 0.00 0.00 +0.044 C BRANCH 20 21 ATOM 21 C LIG 1 -2.050 1.650 1.344 0.00 0.00 +0.229 C BRANCH 21 22 ATOM 22 O LIG 1 -2.266 1.402 -0.043 0.00 0.00 -0.492 OA BRANCH 22 23 ATOM 23 C LIG 1 -3.517 1.064 -0.474 0.00 0.00 +0.121 A ATOM 24 C LIG 1 -4.646 0.867 0.322 0.00 0.00 +0.052 A ATOM 25 C LIG 1 -5.879 0.519 -0.259 0.00 0.00 -0.002 A ATOM 26 C LIG 1 -7.085 0.314 0.611 0.00 0.00 +0.043 C ATOM 27 C LIG 1 -8.357 0.307 -0.224 0.00 0.00 +0.061 C ATOM 28 C LIG 1 -8.132 -0.554 -1.464 0.00 0.00 +0.281 C ATOM 29 O LIG 1 -7.113 0.004 -2.296 0.00 0.00 -0.477 OA ATOM 30 C LIG 1 -5.960 0.346 -1.643 0.00 0.00 +0.125 A ATOM 31 C LIG 1 -4.841 0.555 -2.443 0.00 0.00 +0.049 A ATOM 32 C LIG 1 -3.624 0.908 -1.858 0.00 0.00 +0.049 A BRANCH 28 33 ATOM 33 C LIG 1 -9.441 -0.660 -2.252 0.00 0.00 +0.346 C ATOM 34 O LIG 1 -9.689 -0.088 -3.303 0.00 0.00 -0.247 OA BRANCH 33 35 ATOM 35 O LIG 1 -10.355 -1.477 -1.663 0.00 0.00 -0.478 OA ATOM 36 H LIG 1 -10.049 -1.917 -0.849 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 28 33 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 13