REMARK Name = BDB036365 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.356 -1.069 0.114 0.00 0.00 +0.000 A ATOM 2 C LIG 1 0.810 -1.517 -1.085 0.00 0.00 +0.000 A ATOM 3 C LIG 1 1.299 -2.615 -1.984 0.00 0.00 +0.000 C ATOM 4 C LIG 1 0.065 -2.861 -2.861 0.00 0.00 +0.000 C ATOM 5 C LIG 1 -0.677 -1.523 -2.954 0.00 0.00 +0.000 C ATOM 6 C LIG 1 -0.316 -0.900 -1.642 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.936 0.172 -1.020 0.00 0.00 +0.000 A ATOM 8 C LIG 1 -0.439 0.630 0.209 0.00 0.00 +0.000 A ATOM 9 C LIG 1 0.706 0.000 0.757 0.00 0.00 +0.000 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 2.575 -1.712 0.739 0.00 0.00 +0.000 C BRANCH 10 20 ATOM 11 C LIG 1 5.042 0.525 0.435 0.00 0.00 +0.000 C ATOM 12 O LIG 1 6.037 -0.149 1.232 0.00 0.00 +0.000 OA ATOM 13 C LIG 1 6.794 -1.003 0.485 0.00 0.00 +0.000 A ATOM 14 C LIG 1 6.273 -2.221 0.043 0.00 0.00 +0.000 A ATOM 15 N LIG 1 7.007 -3.080 -0.714 0.00 0.00 +0.000 NA ATOM 16 C LIG 1 8.280 -2.723 -0.999 0.00 0.00 +0.000 A ATOM 17 C LIG 1 8.872 -1.548 -0.565 0.00 0.00 +0.000 A ATOM 18 C LIG 1 4.840 -2.588 0.455 0.00 0.00 +0.000 C ATOM 19 C LIG 1 4.536 -4.057 0.108 0.00 0.00 +0.000 C ATOM 20 N LIG 1 3.771 -1.721 -0.118 0.00 0.00 +0.000 NA ATOM 21 C LIG 1 8.112 -0.670 0.199 0.00 0.00 +0.000 A ATOM 22 C LIG 1 4.228 -0.384 -0.538 0.00 0.00 +0.000 C BRANCH 11 24 ATOM 23 C LIG 1 4.904 2.405 2.138 0.00 0.00 +0.000 C ATOM 24 C LIG 1 4.141 1.309 1.401 0.00 0.00 +0.000 C ENDBRANCH 11 24 ENDBRANCH 10 20 ENDBRANCH 1 10 BRANCH 8 25 ATOM 25 C LIG 1 -1.098 1.789 0.970 0.00 0.00 +0.000 C BRANCH 25 26 ATOM 26 C LIG 1 -1.193 3.052 0.096 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -2.285 3.320 -0.749 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -2.286 4.482 -1.539 0.00 0.00 +0.000 A ATOM 29 N LIG 1 -3.215 4.955 -2.427 0.00 0.00 +0.000 NA ATOM 30 N LIG 1 -2.761 6.095 -2.930 0.00 0.00 +0.000 NA ATOM 31 N LIG 1 -1.565 6.338 -2.363 0.00 0.00 +0.000 N ATOM 32 C LIG 1 -0.838 7.522 -2.732 0.00 0.00 +0.000 C ATOM 33 C LIG 1 -1.207 5.354 -1.483 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -0.093 5.126 -0.672 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -0.110 3.959 0.104 0.00 0.00 +0.000 A ENDBRANCH 25 26 BRANCH 25 36 ATOM 36 C LIG 1 -2.335 1.389 1.862 0.00 0.00 +0.000 C ATOM 37 C LIG 1 -2.922 2.635 2.569 0.00 0.00 +0.000 C ATOM 38 C LIG 1 -1.888 0.438 3.003 0.00 0.00 +0.000 C BRANCH 36 39 ATOM 39 C LIG 1 -3.458 0.715 1.068 0.00 0.00 +0.000 C ATOM 40 O LIG 1 -4.446 1.299 0.638 0.00 0.00 +0.000 OA BRANCH 39 41 ATOM 41 O LIG 1 -3.230 -0.616 0.895 0.00 0.00 +0.000 OA BRANCH 41 42 ATOM 42 C LIG 1 -4.184 -1.328 0.092 0.00 0.00 +0.000 C BRANCH 42 43 ATOM 43 C LIG 1 -5.295 -1.875 0.983 0.00 0.00 +0.000 C BRANCH 43 44 ATOM 44 SI LIG 1 -6.664 -2.818 0.069 0.00 0.00 +0.000 Si ATOM 45 C LIG 1 -7.872 -3.511 1.328 0.00 0.00 +0.000 C ATOM 46 C LIG 1 -7.565 -1.649 -1.086 0.00 0.00 +0.000 C ATOM 47 C LIG 1 -5.911 -4.224 -0.918 0.00 0.00 +0.000 C ENDBRANCH 43 44 ENDBRANCH 42 43 ENDBRANCH 41 42 ENDBRANCH 39 41 ENDBRANCH 36 39 ENDBRANCH 25 36 ENDBRANCH 8 25 TORSDOF 11