REMARK Name = BDB010791 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.235 -1.142 0.053 0.00 0.00 +0.116 A ATOM 2 N LIG 1 0.893 -0.903 -0.223 0.00 0.00 -0.323 N ATOM 3 C LIG 1 0.145 -1.705 0.622 0.00 0.00 +0.128 A ATOM 4 C LIG 1 1.082 -2.232 1.496 0.00 0.00 +0.184 A ATOM 5 N LIG 1 0.788 -3.002 2.553 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 -0.522 -3.201 2.682 0.00 0.00 +0.203 A ATOM 7 N LIG 1 -1.516 -2.762 1.873 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 -1.203 -2.020 0.791 0.00 0.00 +0.149 A ATOM 9 N LIG 1 2.346 -1.896 1.131 0.00 0.00 -0.212 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -0.975 -4.013 3.834 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -2.291 -4.223 4.003 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -3.037 -3.880 3.422 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -2.429 -4.975 5.102 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -3.485 -5.368 5.571 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -1.181 -5.230 5.613 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -0.248 -4.575 4.745 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 1 18 ATOM 17 C LIG 1 3.479 -1.361 -2.112 0.00 0.00 +0.016 C ATOM 18 C LIG 1 3.456 -0.695 -0.729 0.00 0.00 +0.055 C BRANCH 18 19 ATOM 19 C LIG 1 3.694 0.840 -0.762 0.00 0.00 -0.001 C ATOM 20 C LIG 1 4.959 1.192 -1.582 0.00 0.00 +0.004 C ATOM 21 C LIG 1 5.527 2.554 -1.204 0.00 0.00 +0.000 C ATOM 22 C LIG 1 5.983 2.584 0.254 0.00 0.00 +0.000 C ATOM 23 C LIG 1 5.179 1.647 1.156 0.00 0.00 +0.000 C ATOM 24 C LIG 1 3.751 1.472 0.652 0.00 0.00 +0.004 C ENDBRANCH 18 19 ENDBRANCH 1 18 BRANCH 8 25 ATOM 25 N LIG 1 -2.199 -1.609 -0.084 0.00 0.00 -0.324 N ATOM 26 H LIG 1 -1.905 -1.669 -1.051 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.574 -2.077 0.124 0.00 0.00 +0.072 C ATOM 28 C LIG 1 -3.738 -3.483 -0.453 0.00 0.00 +0.028 C BRANCH 27 29 ATOM 29 C LIG 1 -4.527 -1.046 -0.514 0.00 0.00 +0.009 C ATOM 30 C LIG 1 -6.050 -1.342 -0.544 0.00 0.00 +0.005 C ATOM 31 C LIG 1 -5.926 -1.655 -2.045 0.00 0.00 +0.001 C ATOM 32 C LIG 1 -4.592 -0.888 -2.057 0.00 0.00 +0.005 C ENDBRANCH 27 29 ENDBRANCH 25 27 ENDBRANCH 8 25 BRANCH 2 33 ATOM 33 C LIG 1 0.365 0.040 -1.194 0.00 0.00 +0.127 C BRANCH 33 34 ATOM 34 C LIG 1 0.095 1.458 -0.647 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -1.111 1.548 0.292 0.00 0.00 +0.005 C ATOM 36 C LIG 1 -1.272 2.953 0.885 0.00 0.00 +0.003 C ATOM 37 C LIG 1 -0.968 4.097 -0.098 0.00 0.00 -0.014 C ATOM 38 C LIG 1 0.363 4.782 0.228 0.00 0.00 +0.007 C ATOM 39 C LIG 1 -1.008 3.613 -1.548 0.00 0.00 +0.003 C ATOM 40 C LIG 1 -0.064 2.441 -1.827 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 2 33 TORSDOF 8