REMARK Name = BDB050654 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.734 -0.876 -1.186 0.00 0.00 +0.265 C ATOM 2 N LIG 1 0.147 -0.671 -0.104 0.00 0.00 -0.292 N ATOM 3 O LIG 1 -0.381 -0.629 -2.340 0.00 0.00 -0.268 OA ENDROOT BRANCH 2 4 ATOM 4 C LIG 1 1.564 -0.428 -0.480 0.00 0.00 +0.091 C ATOM 5 C LIG 1 2.360 0.506 0.456 0.00 0.00 +0.037 C ATOM 6 C LIG 1 3.864 0.242 0.309 0.00 0.00 +0.091 C ATOM 7 C LIG 1 4.174 -1.207 0.734 0.00 0.00 +0.093 C ATOM 8 N LIG 1 3.126 -2.184 0.402 0.00 0.00 -0.313 NA ATOM 9 H LIG 1 3.542 -3.099 0.230 0.00 0.00 +0.122 HD ATOM 10 C LIG 1 2.318 -1.765 -0.745 0.00 0.00 +0.103 C BRANCH 6 11 ATOM 11 C LIG 1 4.683 1.206 1.165 0.00 0.00 +0.220 C ATOM 12 N LIG 1 5.995 1.455 0.788 0.00 0.00 -0.297 N ATOM 13 C LIG 1 6.608 1.052 -0.483 0.00 0.00 +0.136 C ATOM 14 C LIG 1 8.132 1.201 -0.443 0.00 0.00 +0.179 C ATOM 15 O LIG 1 8.566 2.536 -0.152 0.00 0.00 -0.377 OA ATOM 16 C LIG 1 7.675 3.267 0.704 0.00 0.00 +0.179 C ATOM 17 C LIG 1 6.802 2.378 1.595 0.00 0.00 +0.136 C ATOM 18 O LIG 1 4.201 1.705 2.184 0.00 0.00 -0.275 OA ENDBRANCH 6 11 ENDBRANCH 2 4 BRANCH 1 20 ATOM 19 N LIG 1 -3.218 -0.813 -1.374 0.00 0.00 -0.259 N ATOM 20 C LIG 1 -2.054 -1.402 -0.948 0.00 0.00 +0.124 A ATOM 21 C LIG 1 -2.450 -2.617 -0.419 0.00 0.00 +0.058 A ATOM 22 C LIG 1 -3.863 -2.641 -0.493 0.00 0.00 +0.069 A ATOM 23 N LIG 1 -4.324 -1.527 -1.075 0.00 0.00 -0.175 NA BRANCH 22 24 ATOM 24 C LIG 1 -4.832 -3.721 -0.042 0.00 0.00 +0.006 C ATOM 25 C LIG 1 -5.904 -3.123 0.894 0.00 0.00 +0.017 C ATOM 26 C LIG 1 -4.114 -4.849 0.729 0.00 0.00 +0.017 C ATOM 27 C LIG 1 -5.529 -4.348 -1.267 0.00 0.00 +0.017 C ENDBRANCH 22 24 BRANCH 19 28 ATOM 28 C LIG 1 -3.383 0.458 -2.063 0.00 0.00 +0.144 C BRANCH 28 29 ATOM 29 C LIG 1 -3.956 1.542 -1.150 0.00 0.00 +0.025 C BRANCH 29 30 ATOM 30 C LIG 1 -4.216 2.867 -1.872 0.00 0.00 +0.030 C BRANCH 30 31 ATOM 31 C LIG 1 -2.971 3.511 -2.483 0.00 0.00 +0.159 C BRANCH 31 33 ATOM 32 C LIG 1 -2.006 4.575 -0.586 0.00 0.00 +0.193 C ATOM 33 O LIG 1 -1.875 3.560 -1.573 0.00 0.00 -0.383 OA ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 19 28 ENDBRANCH 1 20 BRANCH 2 34 ATOM 34 C LIG 1 -0.155 -1.010 1.297 0.00 0.00 +0.111 C BRANCH 34 35 ATOM 35 C LIG 1 -0.916 0.053 2.129 0.00 0.00 +0.000 C ATOM 36 C LIG 1 -2.411 -0.252 2.258 0.00 0.00 +0.009 C ATOM 37 C LIG 1 -0.720 1.500 1.678 0.00 0.00 +0.009 C ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 11