REMARK Name = BDB061266 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.263 -2.485 -0.395 0.00 0.00 +0.051 A ATOM 2 C LIG 1 3.586 -1.993 -0.420 0.00 0.00 +0.151 A ATOM 3 C LIG 1 4.679 -2.846 -0.223 0.00 0.00 +0.106 A ATOM 4 C LIG 1 6.038 -2.256 -0.262 0.00 0.00 +0.197 A ATOM 5 C LIG 1 6.124 -0.805 -0.493 0.00 0.00 +0.098 A ATOM 6 C LIG 1 5.002 -0.096 -0.664 0.00 0.00 +0.139 A ATOM 7 O LIG 1 7.076 -2.889 -0.116 0.00 0.00 -0.287 OA ATOM 8 C LIG 1 4.450 -4.210 -0.002 0.00 0.00 +0.135 A ATOM 9 C LIG 1 3.149 -4.716 0.021 0.00 0.00 +0.092 A ATOM 10 O LIG 1 3.736 -0.645 -0.658 0.00 0.00 -0.454 OA ATOM 11 C LIG 1 2.070 -3.855 -0.175 0.00 0.00 +0.128 A ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 5.027 1.360 -0.909 0.00 0.00 +0.018 A ATOM 13 C LIG 1 5.894 2.212 -0.204 0.00 0.00 +0.015 A ATOM 14 C LIG 1 5.896 3.591 -0.441 0.00 0.00 +0.046 A ATOM 15 C LIG 1 5.022 4.124 -1.381 0.00 0.00 +0.117 A ATOM 16 C LIG 1 4.148 3.305 -2.083 0.00 0.00 +0.046 A ATOM 17 C LIG 1 4.147 1.928 -1.844 0.00 0.00 +0.015 A BRANCH 15 18 ATOM 18 O LIG 1 4.989 5.461 -1.643 0.00 0.00 -0.507 OA ATOM 19 H LIG 1 5.635 5.906 -1.069 0.00 0.00 +0.292 HD ENDBRANCH 15 18 ENDBRANCH 6 12 BRANCH 8 20 ATOM 20 O LIG 1 5.491 -5.072 0.193 0.00 0.00 -0.506 OA ATOM 21 H LIG 1 5.173 -5.973 0.358 0.00 0.00 +0.292 HD ENDBRANCH 8 20 BRANCH 11 22 ATOM 22 O LIG 1 0.795 -4.352 -0.150 0.00 0.00 -0.506 OA ATOM 23 H LIG 1 0.825 -5.311 0.005 0.00 0.00 +0.292 HD ENDBRANCH 11 22 BRANCH 1 24 ATOM 24 C LIG 1 1.088 -1.545 -0.591 0.00 0.00 +0.127 C BRANCH 24 28 ATOM 25 N LIG 1 -2.070 -0.634 1.200 0.00 0.00 -0.296 NA ATOM 26 C LIG 1 -1.204 -1.774 1.560 0.00 0.00 +0.100 C ATOM 27 C LIG 1 0.280 -1.366 1.723 0.00 0.00 +0.100 C ATOM 28 N LIG 1 0.861 -0.659 0.564 0.00 0.00 -0.296 NA ATOM 29 C LIG 1 -0.036 0.461 0.211 0.00 0.00 +0.100 C ATOM 30 C LIG 1 -1.521 0.070 0.024 0.00 0.00 +0.100 C BRANCH 25 31 ATOM 31 C LIG 1 -3.450 -1.088 0.980 0.00 0.00 +0.119 C BRANCH 31 36 ATOM 32 C LIG 1 -6.110 1.273 -0.414 0.00 0.00 +0.124 A ATOM 33 C LIG 1 -6.287 2.146 0.666 0.00 0.00 +0.091 A ATOM 34 C LIG 1 -5.552 1.983 1.840 0.00 0.00 +0.124 A ATOM 35 C LIG 1 -4.636 0.934 1.929 0.00 0.00 +0.050 A ATOM 36 C LIG 1 -4.444 0.048 0.859 0.00 0.00 -0.026 A ATOM 37 C LIG 1 -5.192 0.226 -0.315 0.00 0.00 +0.050 A BRANCH 32 39 ATOM 38 C LIG 1 -6.749 0.706 -2.636 0.00 0.00 +0.277 C ATOM 39 O LIG 1 -6.895 1.551 -1.502 0.00 0.00 -0.495 OA ENDBRANCH 32 39 BRANCH 34 40 ATOM 40 O LIG 1 -5.636 2.768 2.958 0.00 0.00 -0.495 OA ATOM 41 C LIG 1 -6.532 3.871 2.902 0.00 0.00 +0.277 C ENDBRANCH 34 40 ENDBRANCH 31 36 ENDBRANCH 25 31 ENDBRANCH 24 28 ENDBRANCH 1 24 TORSDOF 10