REMARK Name = BDB010437 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.394 -1.330 0.183 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.332 -0.543 0.628 0.00 0.00 -0.318 N ATOM 3 C LIG 1 -0.807 -0.950 -0.052 0.00 0.00 +0.128 A ATOM 4 C LIG 1 -0.329 -1.866 -0.974 0.00 0.00 +0.184 A ATOM 5 N LIG 1 -1.081 -2.510 -1.878 0.00 0.00 -0.208 NA ATOM 6 C LIG 1 -2.379 -2.216 -1.793 0.00 0.00 +0.164 A ATOM 7 N LIG 1 -2.939 -1.352 -0.913 0.00 0.00 -0.212 NA ATOM 8 C LIG 1 -2.177 -0.678 -0.020 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.009 -2.059 -0.851 0.00 0.00 -0.206 NA ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 5.119 -1.853 0.422 0.00 0.00 -0.041 A ATOM 11 C LIG 1 3.821 -1.786 -0.100 0.00 0.00 +0.035 A ATOM 12 C LIG 1 2.767 -1.375 0.715 0.00 0.00 +0.106 A ATOM 13 N LIG 1 2.939 -1.048 2.015 0.00 0.00 -0.252 NA ATOM 14 C LIG 1 4.194 -1.126 2.508 0.00 0.00 +0.112 A ATOM 15 C LIG 1 5.298 -1.511 1.764 0.00 0.00 +0.023 A BRANCH 10 17 ATOM 16 C LIG 1 6.908 -3.588 0.056 0.00 0.00 +0.012 C ATOM 17 C LIG 1 6.270 -2.296 -0.460 0.00 0.00 +0.013 C ATOM 18 C LIG 1 7.320 -1.191 -0.608 0.00 0.00 +0.012 C ENDBRANCH 10 17 ENDBRANCH 1 12 BRANCH 6 19 ATOM 19 C LIG 1 -3.347 -2.903 -2.759 0.00 0.00 +0.120 C ATOM 20 C LIG 1 -3.014 -2.538 -4.205 0.00 0.00 +0.049 C ATOM 21 C LIG 1 -3.329 -4.417 -2.553 0.00 0.00 +0.049 C BRANCH 19 22 ATOM 22 O LIG 1 -4.702 -2.463 -2.517 0.00 0.00 -0.381 OA ATOM 23 H LIG 1 -4.635 -1.857 -1.750 0.00 0.00 +0.211 HD ENDBRANCH 19 22 ENDBRANCH 6 19 BRANCH 8 24 ATOM 24 N LIG 1 -2.794 0.190 0.866 0.00 0.00 -0.324 N ATOM 25 H LIG 1 -2.217 0.945 1.196 0.00 0.00 +0.148 HD BRANCH 24 26 ATOM 26 C LIG 1 -4.192 0.567 0.641 0.00 0.00 +0.072 C ATOM 27 C LIG 1 -4.268 1.648 -0.440 0.00 0.00 +0.028 C BRANCH 26 28 ATOM 28 C LIG 1 -4.769 1.123 1.956 0.00 0.00 +0.009 C ATOM 29 C LIG 1 -4.904 0.109 3.129 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -6.370 -0.103 2.711 0.00 0.00 +0.001 C ATOM 31 C LIG 1 -6.314 1.280 2.036 0.00 0.00 +0.005 C ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 8 24 BRANCH 2 32 ATOM 32 C LIG 1 0.401 0.507 1.627 0.00 0.00 +0.127 C BRANCH 32 33 ATOM 33 C LIG 1 0.801 1.920 1.131 0.00 0.00 +0.009 C ATOM 34 C LIG 1 -0.123 2.478 0.037 0.00 0.00 +0.005 C ATOM 35 C LIG 1 0.274 3.893 -0.384 0.00 0.00 +0.003 C ATOM 36 C LIG 1 1.739 3.969 -0.825 0.00 0.00 -0.014 C ATOM 37 C LIG 1 2.120 5.403 -1.191 0.00 0.00 +0.007 C ATOM 38 C LIG 1 2.659 3.428 0.274 0.00 0.00 +0.003 C ATOM 39 C LIG 1 2.268 2.007 0.681 0.00 0.00 +0.005 C ENDBRANCH 32 33 ENDBRANCH 2 32 TORSDOF 9