REMARK Name = BDB024704 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.535 -2.711 0.310 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.942 -1.706 -0.477 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.784 -0.874 -1.372 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.320 -1.695 -2.559 0.00 0.00 +0.028 C ATOM 5 C LIG 1 5.086 0.364 -1.957 0.00 0.00 +0.027 C ATOM 6 C LIG 1 4.192 1.011 -0.925 0.00 0.00 +0.041 C ATOM 7 C LIG 1 3.164 -0.004 -0.523 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.814 0.348 -0.317 0.00 0.00 +0.094 A ATOM 9 N LIG 1 1.204 1.572 -0.458 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.061 1.392 -0.142 0.00 0.00 +0.113 A ATOM 11 N LIG 1 -0.295 0.072 0.183 0.00 0.00 -0.326 N ATOM 12 C LIG 1 0.896 -0.612 0.087 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.252 -1.941 0.309 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.598 -2.281 0.109 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.561 -1.343 -0.295 0.00 0.00 +0.045 A ATOM 16 O LIG 1 4.962 -3.440 1.112 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 7.547 -3.766 0.926 0.00 0.00 +0.282 C ATOM 18 O LIG 1 6.889 -2.783 0.126 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 -1.575 -0.515 0.541 0.00 0.00 +0.139 C BRANCH 19 20 ATOM 20 C LIG 1 -1.832 -0.457 2.054 0.00 0.00 +0.106 C BRANCH 20 21 ATOM 21 N LIG 1 -3.164 -0.875 2.497 0.00 0.00 -0.298 NA ATOM 22 C LIG 1 -4.226 0.111 2.241 0.00 0.00 +0.099 C ATOM 23 C LIG 1 -5.656 -0.482 2.147 0.00 0.00 +0.096 C ATOM 24 N LIG 1 -5.871 -1.623 3.035 0.00 0.00 -0.314 NA ATOM 25 H LIG 1 -6.810 -1.999 2.930 0.00 0.00 +0.122 HD ATOM 26 C LIG 1 -4.870 -2.677 2.810 0.00 0.00 +0.096 C ATOM 27 C LIG 1 -3.558 -2.230 2.112 0.00 0.00 +0.099 C ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 28 ATOM 28 C LIG 1 -1.104 2.463 -0.143 0.00 0.00 +0.096 C BRANCH 28 29 ATOM 29 C LIG 1 -1.665 2.681 -1.551 0.00 0.00 +0.132 C BRANCH 29 30 ATOM 30 N LIG 1 -2.937 3.409 -1.526 0.00 0.00 -0.315 N ATOM 31 C LIG 1 -2.904 4.795 -1.356 0.00 0.00 +0.251 A ATOM 32 O LIG 1 -1.881 5.461 -1.227 0.00 0.00 -0.268 OA ATOM 33 C LIG 1 -4.227 5.477 -1.321 0.00 0.00 +0.070 A ATOM 34 C LIG 1 -5.356 4.767 -1.427 0.00 0.00 +0.007 A ATOM 35 C LIG 1 -5.308 3.336 -1.581 0.00 0.00 +0.018 A ATOM 36 C LIG 1 -4.127 2.708 -1.627 0.00 0.00 +0.089 A ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 10 28 TORSDOF 7