REMARK Name = BDB010957 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.948 -2.345 0.307 0.00 0.00 -0.251 N ATOM 2 C LIG 1 0.180 -1.242 0.672 0.00 0.00 +0.267 A ATOM 3 O LIG 1 0.572 -0.079 0.762 0.00 0.00 -0.267 OA ATOM 4 C LIG 1 -1.225 -1.516 1.052 0.00 0.00 +0.066 A ATOM 5 C LIG 1 -1.644 -2.844 1.140 0.00 0.00 +0.090 A ATOM 6 C LIG 1 -2.967 -3.123 1.513 0.00 0.00 +0.081 A ATOM 7 C LIG 1 -3.850 -2.057 1.788 0.00 0.00 +0.019 A ATOM 8 C LIG 1 -3.429 -0.724 1.697 0.00 0.00 -0.032 A ATOM 9 N LIG 1 -0.767 -3.897 0.866 0.00 0.00 -0.236 NA ATOM 10 C LIG 1 -2.105 -0.461 1.329 0.00 0.00 +0.020 A ATOM 11 C LIG 1 0.434 -3.614 0.474 0.00 0.00 +0.209 A ENDROOT BRANCH 1 15 ATOM 12 C LIG 1 5.184 -4.511 -0.449 0.00 0.00 +0.065 C ATOM 13 C LIG 1 4.364 -3.258 -0.521 0.00 0.00 +0.041 A ATOM 14 N LIG 1 3.071 -3.336 -0.132 0.00 0.00 -0.234 NA ATOM 15 C LIG 1 2.303 -2.223 -0.148 0.00 0.00 +0.142 A ATOM 16 C LIG 1 2.831 -1.018 -0.616 0.00 0.00 +0.051 A ATOM 17 C LIG 1 4.173 -0.900 -1.030 0.00 0.00 -0.029 A ATOM 18 C LIG 1 4.937 -2.074 -0.958 0.00 0.00 +0.027 A BRANCH 17 19 ATOM 19 C LIG 1 4.809 0.478 -1.542 0.00 0.00 +0.056 C ATOM 20 C LIG 1 3.871 1.564 -2.174 0.00 0.00 +0.022 C ATOM 21 C LIG 1 4.969 1.854 -3.223 0.00 0.00 -0.012 C ATOM 22 C LIG 1 4.503 2.149 -4.633 0.00 0.00 +0.007 C ATOM 23 C LIG 1 5.492 0.425 -2.961 0.00 0.00 +0.022 C BRANCH 19 24 ATOM 24 C LIG 1 5.777 1.056 -0.423 0.00 0.00 +0.144 A ATOM 25 N LIG 1 5.445 1.620 0.780 0.00 0.00 -0.320 N ATOM 26 C LIG 1 4.137 1.838 1.336 0.00 0.00 +0.151 C ATOM 27 C LIG 1 6.625 1.931 1.386 0.00 0.00 +0.224 A ATOM 28 N LIG 1 7.624 1.573 0.614 0.00 0.00 -0.138 NA ATOM 29 N LIG 1 7.092 1.013 -0.520 0.00 0.00 -0.134 NA ENDBRANCH 19 24 ENDBRANCH 17 19 ENDBRANCH 1 15 BRANCH 6 30 ATOM 30 C LIG 1 -3.444 -4.549 1.619 0.00 0.00 +0.419 C ATOM 31 F LIG 1 -3.387 -5.230 0.441 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -4.753 -4.634 2.012 0.00 0.00 -0.166 F ATOM 33 F LIG 1 -2.757 -5.288 2.534 0.00 0.00 -0.166 F ENDBRANCH 6 30 BRANCH 8 34 ATOM 34 C LIG 1 -4.382 0.416 2.000 0.00 0.00 +0.119 C BRANCH 34 35 ATOM 35 N LIG 1 -4.598 1.311 0.853 0.00 0.00 -0.298 NA ATOM 36 C LIG 1 -5.277 2.554 1.259 0.00 0.00 +0.088 C ATOM 37 C LIG 1 -6.778 2.575 0.938 0.00 0.00 +0.000 C ATOM 38 C LIG 1 -7.440 3.849 1.455 0.00 0.00 +0.009 C ATOM 39 C LIG 1 -7.009 2.416 -0.572 0.00 0.00 +0.006 C ATOM 40 C LIG 1 -5.915 1.587 -1.244 0.00 0.00 +0.016 C ATOM 41 C LIG 1 -5.266 0.617 -0.261 0.00 0.00 +0.085 C ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 6