REMARK Name = BDB024452 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.093 -0.581 -0.375 0.00 0.00 +0.244 C ATOM 2 N LIG 1 0.253 0.745 -0.517 0.00 0.00 -0.309 N ATOM 3 H LIG 1 -0.454 1.455 -0.649 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 0.728 -1.492 -0.381 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 -3.796 -0.321 0.340 0.00 0.00 +0.124 A ATOM 6 N LIG 1 -4.209 -1.541 -0.066 0.00 0.00 -0.218 NA ATOM 7 C LIG 1 -3.325 -2.438 -0.545 0.00 0.00 +0.122 A ATOM 8 C LIG 1 -1.981 -2.139 -0.668 0.00 0.00 +0.056 A ATOM 9 C LIG 1 -1.541 -0.884 -0.261 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -2.453 0.027 0.267 0.00 0.00 +0.056 A BRANCH 5 15 ATOM 11 C LIG 1 -7.296 3.444 1.969 0.00 0.00 +0.105 C ATOM 12 N LIG 1 -7.147 2.317 1.053 0.00 0.00 -0.302 NA ATOM 13 C LIG 1 -6.056 2.534 0.083 0.00 0.00 +0.103 C ATOM 14 C LIG 1 -4.668 1.979 0.486 0.00 0.00 +0.122 C ATOM 15 N LIG 1 -4.729 0.560 0.883 0.00 0.00 -0.313 N ATOM 16 C LIG 1 -6.083 0.010 1.079 0.00 0.00 +0.122 C ATOM 17 C LIG 1 -6.961 1.053 1.805 0.00 0.00 +0.103 C ENDBRANCH 5 15 BRANCH 7 18 ATOM 18 N LIG 1 -3.778 -3.702 -0.986 0.00 0.00 -0.326 N ATOM 19 H LIG 1 -3.168 -4.419 -0.599 0.00 0.00 +0.148 HD BRANCH 18 20 ATOM 20 C LIG 1 -5.163 -4.064 -0.916 0.00 0.00 +0.072 C ATOM 21 C LIG 1 -5.626 -4.494 0.496 0.00 0.00 +0.022 C ATOM 22 C LIG 1 -6.427 -5.617 -0.195 0.00 0.00 +0.004 C ATOM 23 C LIG 1 -5.413 -5.527 -1.355 0.00 0.00 +0.022 C ENDBRANCH 18 20 ENDBRANCH 7 18 ENDBRANCH 1 9 BRANCH 2 24 ATOM 24 C LIG 1 1.649 1.161 -0.617 0.00 0.00 +0.137 C BRANCH 24 25 ATOM 25 C LIG 1 2.258 0.845 -1.993 0.00 0.00 +0.145 C BRANCH 25 26 ATOM 26 O LIG 1 1.437 1.440 -3.014 0.00 0.00 -0.389 OA ATOM 27 H LIG 1 0.584 0.972 -2.960 0.00 0.00 +0.210 HD ENDBRANCH 25 26 BRANCH 25 28 ATOM 28 C LIG 1 3.689 1.406 -2.135 0.00 0.00 +0.117 C BRANCH 28 29 ATOM 29 N LIG 1 4.643 0.980 -1.095 0.00 0.00 -0.295 NA ATOM 30 C LIG 1 5.888 1.789 -1.210 0.00 0.00 +0.122 C ATOM 31 C LIG 1 6.925 1.276 -0.264 0.00 0.00 -0.005 A ATOM 32 C LIG 1 6.889 0.005 0.269 0.00 0.00 +0.023 A ATOM 33 N LIG 1 7.968 -0.167 1.082 0.00 0.00 -0.358 N ATOM 34 H LIG 1 8.182 -1.000 1.613 0.00 0.00 +0.166 HD ATOM 35 C LIG 1 8.731 0.981 1.082 0.00 0.00 +0.047 A ATOM 36 C LIG 1 9.920 1.270 1.761 0.00 0.00 +0.026 A ATOM 37 C LIG 1 10.485 2.535 1.570 0.00 0.00 +0.002 A ATOM 38 C LIG 1 9.884 3.471 0.734 0.00 0.00 +0.001 A ATOM 39 C LIG 1 8.693 3.169 0.063 0.00 0.00 +0.010 A ATOM 40 C LIG 1 5.806 -0.976 0.016 0.00 0.00 +0.069 C ATOM 41 C LIG 1 8.101 1.903 0.239 0.00 0.00 +0.004 A ATOM 42 C LIG 1 4.936 -0.476 -1.170 0.00 0.00 +0.091 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 2 24 TORSDOF 9