REMARK Name = BDB024538 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.025 -0.681 0.490 0.00 0.00 +0.407 C ATOM 2 N LIG 1 5.086 -0.332 -0.496 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.614 0.344 -1.700 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.414 -0.627 -2.584 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.552 1.020 -2.583 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.468 1.646 -1.732 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.837 0.544 -0.931 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.442 0.462 -0.741 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.459 1.288 -1.215 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.689 0.803 -0.782 0.00 0.00 +0.114 A ATOM 11 N LIG 1 -0.473 -0.331 -0.013 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.892 -0.567 0.011 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.689 -1.559 0.591 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.075 -1.466 0.407 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.664 -0.425 -0.323 0.00 0.00 +0.045 A ATOM 16 O LIG 1 7.241 -0.597 0.328 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.476 -1.135 0.681 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -1.328 -1.077 2.207 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -2.495 -1.778 2.908 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -2.871 -3.132 2.284 0.00 0.00 +0.098 C ATOM 21 C LIG 1 -1.877 -3.614 1.224 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -1.579 -2.574 0.140 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 -4.281 -3.156 1.729 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -5.086 -4.061 1.872 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -4.594 -2.085 0.976 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -5.511 -2.274 0.679 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 6.435 -1.353 2.704 0.00 0.00 +0.282 C ATOM 28 O LIG 1 5.482 -1.060 1.683 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.010 1.460 -1.122 0.00 0.00 +0.056 C ATOM 30 C LIG 1 -2.930 0.544 -1.933 0.00 0.00 +0.016 C BRANCH 29 31 ATOM 31 C LIG 1 -2.667 2.099 0.117 0.00 0.00 +0.046 C BRANCH 31 32 ATOM 32 C LIG 1 -3.849 2.983 -0.210 0.00 0.00 -0.047 A ATOM 33 C LIG 1 -3.652 4.251 -0.772 0.00 0.00 +0.003 A ATOM 34 C LIG 1 -4.743 5.064 -1.084 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -6.039 4.617 -0.836 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -6.247 3.358 -0.277 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -5.157 2.543 0.036 0.00 0.00 +0.003 A ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 7