REMARK Name = BDB035306 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.430 -1.112 -1.235 0.00 0.00 +0.077 A ATOM 2 N LIG 1 -1.359 -0.299 -1.331 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -0.259 -0.607 -0.622 0.00 0.00 +0.239 A ATOM 4 N LIG 1 -0.210 -1.690 0.164 0.00 0.00 -0.216 NA ATOM 5 C LIG 1 -1.272 -2.521 0.257 0.00 0.00 +0.050 A ATOM 6 C LIG 1 -2.419 -2.251 -0.459 0.00 0.00 +0.052 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 0.863 0.258 -0.720 0.00 0.00 -0.234 N ATOM 8 C LIG 1 2.028 -0.001 0.006 0.00 0.00 +0.285 A ATOM 9 O LIG 1 2.246 -0.930 0.775 0.00 0.00 -0.265 OA ATOM 10 C LIG 1 3.031 0.992 -0.237 0.00 0.00 +0.131 A ATOM 11 C LIG 1 2.862 2.054 -1.073 0.00 0.00 +0.096 A ATOM 12 C LIG 1 4.029 2.829 -1.083 0.00 0.00 +0.051 A ATOM 13 C LIG 1 4.920 2.203 -0.223 0.00 0.00 +0.023 A ATOM 14 N LIG 1 1.688 2.280 -1.778 0.00 0.00 -0.235 NA ATOM 15 N LIG 1 4.291 1.079 0.285 0.00 0.00 -0.352 N ATOM 16 H LIG 1 4.707 0.432 0.950 0.00 0.00 +0.166 HD ATOM 17 C LIG 1 0.781 1.371 -1.553 0.00 0.00 +0.210 A BRANCH 13 18 ATOM 18 C LIG 1 6.329 2.563 0.166 0.00 0.00 +0.051 C ATOM 19 C LIG 1 6.570 2.477 1.675 0.00 0.00 +0.090 C ATOM 20 N LIG 1 6.919 1.065 1.886 0.00 0.00 -0.315 NA ATOM 21 H LIG 1 7.393 0.943 2.780 0.00 0.00 +0.122 HD ATOM 22 C LIG 1 7.815 0.732 0.777 0.00 0.00 +0.081 C ATOM 23 C LIG 1 7.344 1.570 -0.409 0.00 0.00 +0.026 C ENDBRANCH 13 18 ENDBRANCH 3 7 BRANCH 1 25 ATOM 24 C LIG 1 -4.893 -0.547 -1.465 0.00 0.00 +0.049 A ATOM 25 C LIG 1 -3.603 -0.694 -2.020 0.00 0.00 +0.013 A ATOM 26 C LIG 1 -3.457 -0.430 -3.397 0.00 0.00 +0.013 A ATOM 27 C LIG 1 -4.555 -0.072 -4.186 0.00 0.00 +0.039 A ATOM 28 C LIG 1 -5.814 0.026 -3.609 0.00 0.00 +0.124 A ATOM 29 F LIG 1 -6.863 0.361 -4.369 0.00 0.00 -0.205 F ATOM 30 C LIG 1 -5.998 -0.210 -2.255 0.00 0.00 +0.052 A BRANCH 24 32 ATOM 31 O LIG 1 -5.860 -1.673 0.334 0.00 0.00 -0.270 OA ATOM 32 C LIG 1 -5.145 -0.744 -0.023 0.00 0.00 +0.248 C ATOM 33 N LIG 1 -4.530 0.132 0.835 0.00 0.00 -0.292 N ATOM 34 C LIG 1 -4.132 1.518 0.625 0.00 0.00 +0.146 C ATOM 35 C LIG 1 -4.041 1.635 2.156 0.00 0.00 +0.200 C ATOM 36 F LIG 1 -4.595 2.744 2.702 0.00 0.00 -0.242 F ATOM 37 C LIG 1 -4.877 0.347 2.235 0.00 0.00 +0.146 C ENDBRANCH 24 32 ENDBRANCH 1 25 BRANCH 5 38 ATOM 38 C LIG 1 -1.121 -3.716 1.177 0.00 0.00 +0.038 C ATOM 39 C LIG 1 -1.774 -5.044 0.881 0.00 0.00 +0.010 C ATOM 40 C LIG 1 -2.269 -4.207 2.027 0.00 0.00 +0.010 C ENDBRANCH 5 38 TORSDOF 5