REMARK Name = BDB024728 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.530 -0.321 -0.510 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.560 0.324 0.282 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.056 1.512 1.002 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.294 2.682 0.032 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.165 1.928 2.169 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.746 2.139 1.688 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.256 0.894 1.006 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.873 0.595 1.015 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.160 1.327 1.535 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.268 0.652 1.291 0.00 0.00 +0.115 A ATOM 11 N LIG 1 -0.975 -0.542 0.656 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.397 -0.577 0.453 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.254 -1.503 -0.139 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.623 -1.190 -0.165 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.149 0.007 0.349 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.738 -0.121 -0.385 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.870 -1.608 0.202 0.00 0.00 +0.092 C ATOM 18 C LIG 1 -2.963 -2.031 1.196 0.00 0.00 +0.048 C ATOM 19 C LIG 1 -3.543 -3.400 0.852 0.00 0.00 +0.168 C ATOM 20 S LIG 1 -3.963 -3.563 -0.877 0.00 0.00 -0.031 S ATOM 21 O LIG 1 -5.364 -3.920 -0.968 0.00 0.00 -0.174 OA ATOM 22 O LIG 1 -2.937 -4.374 -1.502 0.00 0.00 -0.174 OA ATOM 23 C LIG 1 -3.782 -1.907 -1.501 0.00 0.00 +0.168 C ATOM 24 C LIG 1 -2.393 -1.346 -1.226 0.00 0.00 +0.048 C ENDBRANCH 11 17 BRANCH 1 26 ATOM 25 C LIG 1 6.028 -1.727 -2.325 0.00 0.00 +0.282 C ATOM 26 O LIG 1 5.037 -1.130 -1.487 0.00 0.00 -0.453 OA ENDBRANCH 1 26 BRANCH 10 27 ATOM 27 C LIG 1 -2.622 1.171 1.683 0.00 0.00 +0.109 C BRANCH 27 28 ATOM 28 C LIG 1 -3.507 1.592 0.530 0.00 0.00 -0.040 A ATOM 29 C LIG 1 -3.003 2.362 -0.529 0.00 0.00 +0.004 A ATOM 30 C LIG 1 -3.834 2.761 -1.577 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -5.183 2.416 -1.569 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -5.706 1.684 -0.506 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -4.876 1.282 0.543 0.00 0.00 +0.004 A ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 4