REMARK Name = BDB065111 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.109 -0.924 -0.404 0.00 0.00 -0.022 C ATOM 2 C LIG 1 -0.641 -0.071 0.716 0.00 0.00 +0.011 C ATOM 3 C LIG 1 -0.148 1.397 0.872 0.00 0.00 +0.005 C ATOM 4 C LIG 1 -0.623 2.013 2.190 0.00 0.00 +0.003 C ATOM 5 C LIG 1 -2.137 1.960 2.344 0.00 0.00 +0.038 C ATOM 6 C LIG 1 -2.647 0.565 2.080 0.00 0.00 +0.105 C ATOM 7 O LIG 1 -4.019 0.384 2.464 0.00 0.00 -0.367 OA ATOM 8 C LIG 1 -3.049 -0.268 3.292 0.00 0.00 +0.196 C ATOM 9 C LIG 1 -2.242 -0.063 0.705 0.00 0.00 +0.076 C ATOM 10 C LIG 1 -2.728 -1.535 0.552 0.00 0.00 +0.189 C ATOM 11 C LIG 1 -2.182 -2.174 -0.721 0.00 0.00 +0.049 C ATOM 12 C LIG 1 -0.659 -2.290 -0.681 0.00 0.00 -0.004 C ATOM 13 C LIG 1 -0.214 -3.044 -1.951 0.00 0.00 +0.008 C ATOM 14 C LIG 1 0.272 -0.132 -1.716 0.00 0.00 +0.012 C ENDROOT BRANCH 1 15 ATOM 15 C LIG 1 1.544 -1.399 0.115 0.00 0.00 +0.056 C BRANCH 15 16 ATOM 16 C LIG 1 2.674 -0.408 0.453 0.00 0.00 +0.207 C BRANCH 16 17 ATOM 17 C LIG 1 3.907 -1.136 0.915 0.00 0.00 +0.014 C ATOM 18 C LIG 1 4.692 -2.028 0.034 0.00 0.00 +0.267 C ATOM 19 O LIG 1 5.782 -2.458 0.851 0.00 0.00 -0.457 OA ATOM 20 C LIG 1 5.668 -1.894 2.084 0.00 0.00 +0.332 C ATOM 21 O LIG 1 6.428 -2.057 3.019 0.00 0.00 -0.246 OA ATOM 22 C LIG 1 4.476 -1.052 2.118 0.00 0.00 +0.097 C ENDBRANCH 16 17 BRANCH 16 23 ATOM 23 O LIG 1 3.032 0.335 -0.719 0.00 0.00 -0.457 OA BRANCH 23 24 ATOM 24 C LIG 1 3.513 1.594 -0.514 0.00 0.00 +0.310 C ATOM 25 O LIG 1 3.572 2.157 0.569 0.00 0.00 -0.251 OA BRANCH 24 26 ATOM 26 C LIG 1 3.971 2.196 -1.829 0.00 0.00 +0.094 C ATOM 27 C LIG 1 2.952 3.241 -2.273 0.00 0.00 +0.019 C BRANCH 26 29 ATOM 28 C LIG 1 6.443 1.769 -1.395 0.00 0.00 +0.004 C ATOM 29 C LIG 1 5.372 2.811 -1.690 0.00 0.00 +0.011 C ENDBRANCH 26 29 ENDBRANCH 24 26 ENDBRANCH 23 24 ENDBRANCH 16 23 ENDBRANCH 15 16 ENDBRANCH 1 15 BRANCH 9 30 ATOM 30 C LIG 1 -2.833 0.836 -0.441 0.00 0.00 +0.245 C BRANCH 30 31 ATOM 31 O LIG 1 -4.269 0.873 -0.409 0.00 0.00 -0.464 OA BRANCH 31 32 ATOM 32 C LIG 1 -4.846 1.610 -1.393 0.00 0.00 +0.304 C ATOM 33 O LIG 1 -4.245 2.204 -2.278 0.00 0.00 -0.251 OA ATOM 34 C LIG 1 -6.336 1.591 -1.242 0.00 0.00 +0.136 C ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 9 30 BRANCH 10 35 ATOM 35 O LIG 1 -4.166 -1.610 0.484 0.00 0.00 -0.461 OA BRANCH 35 36 ATOM 36 C LIG 1 -4.761 -2.687 1.058 0.00 0.00 +0.304 C ATOM 37 O LIG 1 -4.181 -3.625 1.586 0.00 0.00 -0.251 OA ATOM 38 C LIG 1 -6.251 -2.553 0.976 0.00 0.00 +0.136 C ENDBRANCH 35 36 ENDBRANCH 10 35 TORSDOF 12