REMARK Name = BDB025207 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.170 -0.176 -1.847 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.306 -0.713 -0.876 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.686 -1.946 -0.143 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.854 -1.683 0.826 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.556 -2.591 0.675 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.246 -2.520 -0.074 0.00 0.00 +0.041 C ATOM 7 C LIG 1 1.938 -1.070 -0.306 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.631 -0.558 -0.166 0.00 0.00 +0.096 A ATOM 9 N LIG 1 -0.508 -1.206 0.235 0.00 0.00 -0.214 NA ATOM 10 C LIG 1 -1.462 -0.302 0.280 0.00 0.00 +0.201 A ATOM 11 N LIG 1 -0.993 0.898 -0.240 0.00 0.00 -0.308 N ATOM 12 C LIG 1 0.368 0.779 -0.429 0.00 0.00 +0.071 A ATOM 13 C LIG 1 1.377 1.672 -0.798 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.673 1.156 -0.934 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.973 -0.195 -0.709 0.00 0.00 +0.045 A ATOM 16 O LIG 1 4.958 0.809 -2.546 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.806 2.082 -0.480 0.00 0.00 +0.091 C ATOM 18 C LIG 1 -1.648 3.112 0.646 0.00 0.00 +0.040 C ATOM 19 C LIG 1 -2.775 4.157 0.576 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -3.121 4.557 -0.869 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -2.007 4.222 -1.861 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -1.669 2.727 -1.874 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -4.016 3.613 1.270 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -4.228 2.424 1.471 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -4.890 4.576 1.631 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -4.607 5.484 1.413 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.217 -0.429 -2.983 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.315 -0.913 -1.986 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 N LIG 1 -2.727 -0.412 0.762 0.00 0.00 -0.285 N ATOM 30 H LIG 1 -3.242 0.429 1.016 0.00 0.00 +0.155 HD BRANCH 29 31 ATOM 31 C LIG 1 -3.369 -1.570 1.260 0.00 0.00 +0.034 A ATOM 32 C LIG 1 -2.872 -2.870 1.108 0.00 0.00 +0.026 A ATOM 33 C LIG 1 -3.561 -3.986 1.613 0.00 0.00 -0.049 A ATOM 34 C LIG 1 -3.009 -5.366 1.407 0.00 0.00 +0.044 C ATOM 35 C LIG 1 -4.790 -3.800 2.252 0.00 0.00 +0.003 A ATOM 36 C LIG 1 -5.309 -2.517 2.402 0.00 0.00 +0.002 A ATOM 37 C LIG 1 -4.605 -1.416 1.909 0.00 0.00 +0.023 A ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 6