REMARK Name = BDB010065 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.170 -1.971 0.421 0.00 0.00 +0.144 A ATOM 2 N LIG 1 -1.172 -1.180 -0.130 0.00 0.00 -0.315 N ATOM 3 C LIG 1 0.047 -1.716 0.232 0.00 0.00 +0.129 A ATOM 4 C LIG 1 -0.286 -2.844 0.961 0.00 0.00 +0.184 A ATOM 5 N LIG 1 0.606 -3.698 1.482 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 1.869 -3.351 1.207 0.00 0.00 +0.242 A ATOM 7 N LIG 1 2.288 -2.270 0.507 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 1.385 -1.403 0.010 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -1.636 -2.987 1.073 0.00 0.00 -0.208 NA ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 -6.590 -3.832 -0.949 0.00 0.00 +0.044 C ATOM 11 C LIG 1 -5.771 -2.683 -0.439 0.00 0.00 -0.050 A ATOM 12 C LIG 1 -4.390 -2.829 -0.250 0.00 0.00 +0.015 A ATOM 13 C LIG 1 -3.613 -1.776 0.254 0.00 0.00 +0.018 A ATOM 14 C LIG 1 -4.245 -0.580 0.614 0.00 0.00 +0.011 A ATOM 15 C LIG 1 -5.622 -0.430 0.442 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -6.382 -1.477 -0.081 0.00 0.00 +0.003 A ENDBRANCH 1 13 BRANCH 6 17 ATOM 17 C LIG 1 2.933 -4.270 1.748 0.00 0.00 +0.375 C ATOM 18 O LIG 1 2.764 -5.297 2.385 0.00 0.00 -0.242 OA BRANCH 17 19 ATOM 19 O LIG 1 4.193 -3.859 1.469 0.00 0.00 -0.475 OA ATOM 20 H LIG 1 4.756 -4.550 1.874 0.00 0.00 +0.296 HD ENDBRANCH 17 19 ENDBRANCH 6 17 BRANCH 8 21 ATOM 21 N LIG 1 1.800 -0.275 -0.688 0.00 0.00 -0.324 N ATOM 22 H LIG 1 1.193 0.522 -0.541 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 3.220 0.083 -0.628 0.00 0.00 +0.072 C ATOM 24 C LIG 1 3.545 0.776 0.704 0.00 0.00 +0.022 C ATOM 25 C LIG 1 4.983 1.288 0.737 0.00 0.00 +0.002 C ATOM 26 C LIG 1 5.283 2.206 -0.444 0.00 0.00 +0.000 C ATOM 27 C LIG 1 4.956 1.534 -1.773 0.00 0.00 +0.002 C ATOM 28 C LIG 1 3.517 1.026 -1.806 0.00 0.00 +0.022 C ENDBRANCH 21 23 ENDBRANCH 8 21 BRANCH 2 29 ATOM 29 C LIG 1 -1.377 -0.085 -1.069 0.00 0.00 +0.159 C BRANCH 29 30 ATOM 30 C LIG 1 -1.138 1.297 -0.493 0.00 0.00 -0.028 A ATOM 31 C LIG 1 -1.065 1.569 0.881 0.00 0.00 +0.006 A ATOM 32 C LIG 1 -0.828 2.869 1.341 0.00 0.00 +0.013 A ATOM 33 C LIG 1 -0.673 3.931 0.441 0.00 0.00 +0.055 A ATOM 34 C LIG 1 -0.750 3.664 -0.932 0.00 0.00 +0.013 A ATOM 35 C LIG 1 -0.987 2.366 -1.392 0.00 0.00 +0.006 A BRANCH 33 36 ATOM 36 C LIG 1 -0.394 5.331 0.932 0.00 0.00 +0.417 C ATOM 37 F LIG 1 0.932 5.638 0.883 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -1.029 6.286 0.195 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -0.781 5.537 2.222 0.00 0.00 -0.166 F ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 2 29 TORSDOF 8