REMARK Name = BDB045941 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.891 -1.840 -1.039 0.00 0.00 +0.060 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.027 -1.956 -2.294 0.00 0.00 +0.230 C BRANCH 2 3 ATOM 3 O LIG 1 -0.197 -0.811 -2.494 0.00 0.00 -0.492 OA BRANCH 3 7 ATOM 4 C LIG 1 3.137 -0.002 -0.111 0.00 0.00 -0.044 A ATOM 5 C LIG 1 2.560 0.961 -0.944 0.00 0.00 +0.007 A ATOM 6 C LIG 1 1.450 0.640 -1.728 0.00 0.00 +0.046 A ATOM 7 C LIG 1 0.894 -0.641 -1.688 0.00 0.00 +0.121 A ATOM 8 C LIG 1 1.474 -1.608 -0.869 0.00 0.00 +0.046 A ATOM 9 C LIG 1 2.586 -1.289 -0.083 0.00 0.00 +0.007 A BRANCH 4 10 ATOM 10 C LIG 1 4.348 0.333 0.725 0.00 0.00 +0.078 C BRANCH 10 11 ATOM 11 C LIG 1 5.660 0.352 -0.071 0.00 0.00 +0.230 C BRANCH 11 12 ATOM 12 C LIG 1 6.027 -1.056 -0.546 0.00 0.00 +0.334 C ATOM 13 O LIG 1 6.284 -1.376 -1.697 0.00 0.00 -0.248 OA BRANCH 12 14 ATOM 14 O LIG 1 6.118 -1.970 0.443 0.00 0.00 -0.479 OA ATOM 15 H LIG 1 6.415 -2.783 -0.014 0.00 0.00 +0.295 HD ENDBRANCH 12 14 ENDBRANCH 11 12 BRANCH 11 16 ATOM 16 O LIG 1 6.670 0.915 0.776 0.00 0.00 -0.365 OA BRANCH 16 18 ATOM 17 C LIG 1 7.679 2.720 -0.494 0.00 0.00 +0.034 C ATOM 18 C LIG 1 7.848 1.326 0.085 0.00 0.00 +0.157 C ENDBRANCH 16 18 ENDBRANCH 11 16 ENDBRANCH 10 11 ENDBRANCH 4 10 ENDBRANCH 3 7 ENDBRANCH 2 3 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 -2.735 -0.561 -1.040 0.00 0.00 +0.114 C BRANCH 19 20 ATOM 20 N LIG 1 -3.401 -0.384 0.265 0.00 0.00 -0.294 N ATOM 21 C LIG 1 -3.031 0.771 0.992 0.00 0.00 +0.076 A ATOM 22 C LIG 1 -3.953 1.757 1.391 0.00 0.00 +0.146 A ATOM 23 C LIG 1 -3.567 2.819 2.215 0.00 0.00 +0.048 A ATOM 24 C LIG 1 -2.237 2.950 2.609 0.00 0.00 +0.004 A ATOM 25 C LIG 1 -1.297 2.017 2.185 0.00 0.00 +0.002 A ATOM 26 O LIG 1 -5.264 1.776 0.983 0.00 0.00 -0.454 OA ATOM 27 C LIG 1 -5.367 1.651 -0.441 0.00 0.00 +0.466 C ATOM 28 O LIG 1 -6.040 0.485 -0.922 0.00 0.00 -0.454 OA ATOM 29 C LIG 1 -5.841 -0.659 -0.199 0.00 0.00 +0.146 A ATOM 30 C LIG 1 -6.980 -1.470 -0.098 0.00 0.00 +0.048 A ATOM 31 C LIG 1 -6.949 -2.657 0.632 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -5.773 -3.047 1.261 0.00 0.00 +0.002 A ATOM 33 C LIG 1 -4.629 -2.256 1.139 0.00 0.00 +0.027 A ATOM 34 C LIG 1 -1.691 0.938 1.388 0.00 0.00 +0.027 A ATOM 35 C LIG 1 -4.633 -1.063 0.392 0.00 0.00 +0.076 A ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 11