REMARK Name = BDB048566 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.770 -0.588 -0.021 0.00 0.00 -0.044 A ATOM 2 C LIG 1 1.667 -0.194 0.746 0.00 0.00 +0.007 A ATOM 3 C LIG 1 0.731 0.715 0.238 0.00 0.00 +0.046 A ATOM 4 C LIG 1 0.889 1.245 -1.041 0.00 0.00 +0.121 A ATOM 5 C LIG 1 1.989 0.853 -1.807 0.00 0.00 +0.046 A ATOM 6 C LIG 1 2.925 -0.053 -1.304 0.00 0.00 +0.007 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 3.790 -1.558 0.537 0.00 0.00 +0.078 C BRANCH 7 8 ATOM 8 C LIG 1 5.030 -0.838 1.091 0.00 0.00 +0.230 C BRANCH 8 9 ATOM 9 C LIG 1 5.734 -1.772 2.080 0.00 0.00 +0.334 C ATOM 10 O LIG 1 6.838 -2.280 1.970 0.00 0.00 -0.248 OA BRANCH 9 11 ATOM 11 O LIG 1 5.011 -1.989 3.201 0.00 0.00 -0.479 OA ATOM 12 H LIG 1 5.584 -2.579 3.736 0.00 0.00 +0.295 HD ENDBRANCH 9 11 ENDBRANCH 8 9 BRANCH 8 13 ATOM 13 O LIG 1 5.864 -0.481 -0.019 0.00 0.00 -0.365 OA BRANCH 13 15 ATOM 14 C LIG 1 7.652 0.806 -0.929 0.00 0.00 +0.034 C ATOM 15 C LIG 1 6.821 0.523 0.307 0.00 0.00 +0.157 C ENDBRANCH 13 15 ENDBRANCH 8 13 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 16 ATOM 16 O LIG 1 0.053 2.130 -1.663 0.00 0.00 -0.488 OA BRANCH 16 17 ATOM 17 C LIG 1 -1.028 2.700 -0.924 0.00 0.00 +0.256 C BRANCH 17 18 ATOM 18 C LIG 1 -2.228 1.802 -0.989 0.00 0.00 +0.014 C ATOM 19 C LIG 1 -2.974 1.463 0.075 0.00 0.00 +0.007 C BRANCH 19 20 ATOM 20 C LIG 1 -4.134 0.565 -0.004 0.00 0.00 -0.018 A ATOM 21 C LIG 1 -4.086 -0.629 -0.741 0.00 0.00 +0.053 A ATOM 22 C LIG 1 -5.189 -1.482 -0.775 0.00 0.00 +0.124 A ATOM 23 C LIG 1 -6.338 -1.139 -0.059 0.00 0.00 +0.091 A ATOM 24 C LIG 1 -6.399 0.037 0.691 0.00 0.00 +0.124 A ATOM 25 C LIG 1 -5.291 0.885 0.721 0.00 0.00 +0.053 A BRANCH 22 26 ATOM 26 O LIG 1 -5.270 -2.667 -1.454 0.00 0.00 -0.495 OA ATOM 27 C LIG 1 -4.129 -3.054 -2.211 0.00 0.00 +0.277 C ENDBRANCH 22 26 BRANCH 24 28 ATOM 28 O LIG 1 -7.585 0.239 1.343 0.00 0.00 -0.495 OA ATOM 29 C LIG 1 -7.712 1.439 2.096 0.00 0.00 +0.277 C ENDBRANCH 24 28 ENDBRANCH 19 20 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 4 16 TORSDOF 12