REMARK Name = BDB061147 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.776 -0.324 1.433 0.00 0.00 +0.121 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.570 1.195 1.312 0.00 0.00 +0.019 A ATOM 3 C LIG 1 -1.196 2.090 2.212 0.00 0.00 +0.126 A ATOM 4 C LIG 1 -0.980 3.469 2.163 0.00 0.00 +0.095 A ATOM 5 C LIG 1 -0.157 3.946 1.169 0.00 0.00 +0.170 A ATOM 6 O LIG 1 0.162 5.251 0.956 0.00 0.00 -0.452 OA ATOM 7 C LIG 1 1.034 5.133 -0.187 0.00 0.00 +0.466 C ATOM 8 O LIG 1 1.195 3.776 -0.649 0.00 0.00 -0.453 OA ATOM 9 C LIG 1 0.431 3.107 0.255 0.00 0.00 +0.167 A ATOM 10 C LIG 1 0.242 1.741 0.295 0.00 0.00 +0.058 A BRANCH 3 11 ATOM 11 O LIG 1 -2.062 1.645 3.171 0.00 0.00 -0.506 OA ATOM 12 H LIG 1 -2.751 1.138 2.705 0.00 0.00 +0.292 HD ENDBRANCH 3 11 ENDBRANCH 1 2 BRANCH 1 13 ATOM 13 C LIG 1 -2.085 -0.735 0.747 0.00 0.00 -0.026 A ATOM 14 C LIG 1 -2.280 -0.554 -0.630 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -3.483 -0.929 -1.238 0.00 0.00 +0.009 A ATOM 16 C LIG 1 -4.524 -1.502 -0.493 0.00 0.00 -0.018 A ATOM 17 C LIG 1 -4.320 -1.693 0.882 0.00 0.00 +0.009 A ATOM 18 C LIG 1 -3.119 -1.318 1.494 0.00 0.00 +0.006 A BRANCH 16 19 ATOM 19 C LIG 1 -5.789 -1.894 -1.135 0.00 0.00 -0.015 A ATOM 20 C LIG 1 -6.524 -0.983 -1.902 0.00 0.00 +0.028 A ATOM 21 C LIG 1 -7.712 -1.398 -2.486 0.00 0.00 +0.111 A ATOM 22 N LIG 1 -8.213 -2.643 -2.364 0.00 0.00 -0.263 NA ATOM 23 C LIG 1 -7.495 -3.513 -1.624 0.00 0.00 +0.111 A ATOM 24 C LIG 1 -6.299 -3.191 -1.000 0.00 0.00 +0.028 A ENDBRANCH 16 19 ENDBRANCH 1 13 BRANCH 1 27 ATOM 25 C LIG 1 2.525 -1.995 1.231 0.00 0.00 +0.091 C ATOM 26 C LIG 1 1.589 -0.915 1.786 0.00 0.00 +0.107 C ATOM 27 N LIG 1 0.385 -1.113 0.951 0.00 0.00 -0.290 NA ATOM 28 C LIG 1 0.177 -2.569 0.987 0.00 0.00 +0.087 C ATOM 29 C LIG 1 1.583 -3.174 0.995 0.00 0.00 +0.039 C BRANCH 25 31 ATOM 30 C LIG 1 4.170 -0.676 -0.021 0.00 0.00 +0.401 C ATOM 31 N LIG 1 3.138 -1.566 -0.019 0.00 0.00 -0.277 N ATOM 32 H LIG 1 2.538 -1.482 -0.829 0.00 0.00 +0.152 HD ATOM 33 O LIG 1 4.838 -0.380 0.957 0.00 0.00 -0.226 OA BRANCH 30 34 ATOM 34 O LIG 1 4.291 -0.160 -1.264 0.00 0.00 -0.445 OA BRANCH 34 36 ATOM 35 C LIG 1 6.696 0.380 -1.318 0.00 0.00 +0.055 C ATOM 36 C LIG 1 5.264 0.880 -1.540 0.00 0.00 +0.107 C ATOM 37 C LIG 1 5.081 1.196 -3.033 0.00 0.00 +0.055 C ATOM 38 C LIG 1 4.965 2.148 -0.732 0.00 0.00 +0.055 C ENDBRANCH 34 36 ENDBRANCH 30 34 ENDBRANCH 25 31 ENDBRANCH 1 27 TORSDOF 8