REMARK Name = BDB050048 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.139 -0.432 -0.118 0.00 0.00 +0.003 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.296 -1.679 -0.403 0.00 0.00 +0.000 C BRANCH 2 3 ATOM 3 C LIG 1 1.187 -1.375 -0.622 0.00 0.00 +0.006 C BRANCH 3 4 ATOM 4 C LIG 1 2.005 -2.661 -0.755 0.00 0.00 +0.059 C BRANCH 4 9 ATOM 5 C LIG 1 5.474 -1.971 -0.444 0.00 0.00 +0.228 A ATOM 6 O LIG 1 5.458 -1.976 -1.816 0.00 0.00 -0.440 OA ATOM 7 C LIG 1 4.158 -2.239 -2.140 0.00 0.00 +0.126 A ATOM 8 C LIG 1 3.830 -2.297 -3.574 0.00 0.00 +0.088 C ATOM 9 C LIG 1 3.449 -2.381 -0.967 0.00 0.00 +0.083 A ATOM 10 N LIG 1 4.297 -2.207 0.104 0.00 0.00 -0.214 NA BRANCH 5 15 ATOM 11 C LIG 1 10.522 -0.948 2.196 0.00 0.00 +0.044 C ATOM 12 C LIG 1 9.211 -1.188 1.507 0.00 0.00 -0.050 A ATOM 13 C LIG 1 8.052 -1.433 2.248 0.00 0.00 +0.004 A ATOM 14 C LIG 1 6.838 -1.685 1.601 0.00 0.00 +0.013 A ATOM 15 C LIG 1 6.758 -1.708 0.201 0.00 0.00 +0.037 A ATOM 16 C LIG 1 7.928 -1.476 -0.536 0.00 0.00 +0.013 A ATOM 17 C LIG 1 9.143 -1.224 0.110 0.00 0.00 +0.004 A ENDBRANCH 5 15 ENDBRANCH 4 9 ENDBRANCH 3 4 ENDBRANCH 2 3 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 C LIG 1 -1.203 0.544 -1.298 0.00 0.00 +0.044 C BRANCH 18 19 ATOM 19 C LIG 1 -2.114 1.734 -1.007 0.00 0.00 +0.263 C BRANCH 19 20 ATOM 20 O LIG 1 -3.454 1.272 -0.840 0.00 0.00 -0.394 OA BRANCH 20 21 ATOM 21 N LIG 1 -4.266 2.369 -0.523 0.00 0.00 -0.089 NA ATOM 22 C LIG 1 -5.516 2.030 -0.372 0.00 0.00 +0.088 C BRANCH 22 23 ATOM 23 C LIG 1 -6.507 3.110 -0.044 0.00 0.00 -0.001 A ATOM 24 C LIG 1 -6.133 4.448 -0.249 0.00 0.00 +0.010 A ATOM 25 C LIG 1 -7.014 5.491 0.049 0.00 0.00 +0.001 A ATOM 26 C LIG 1 -8.278 5.208 0.558 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -8.659 3.885 0.771 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -7.779 2.840 0.474 0.00 0.00 +0.010 A ENDBRANCH 22 23 BRANCH 22 29 ATOM 29 C LIG 1 -5.996 0.586 -0.524 0.00 0.00 +0.070 C BRANCH 29 30 ATOM 30 C LIG 1 -5.528 -0.274 0.652 0.00 0.00 +0.127 C BRANCH 30 31 ATOM 31 C LIG 1 -6.646 -0.670 1.586 0.00 0.00 +0.305 C ATOM 32 O LIG 1 -7.839 -0.537 1.364 0.00 0.00 -0.251 OA BRANCH 31 33 ATOM 33 O LIG 1 -6.188 -1.234 2.728 0.00 0.00 -0.481 OA ATOM 34 H LIG 1 -5.214 -1.288 2.778 0.00 0.00 +0.295 HD ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 22 29 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 1 18 TORSDOF 14