REMARK Name = BDB059484 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.590 -1.265 -0.270 0.00 0.00 +0.247 C ATOM 2 N LIG 1 5.499 -0.794 0.459 0.00 0.00 -0.293 N ATOM 3 C LIG 1 4.356 -1.711 0.554 0.00 0.00 +0.144 C ATOM 4 C LIG 1 3.130 -0.979 1.018 0.00 0.00 -0.019 A ATOM 5 C LIG 1 3.168 0.304 1.526 0.00 0.00 -0.003 A ATOM 6 S LIG 1 1.647 0.882 1.997 0.00 0.00 -0.088 S ATOM 7 C LIG 1 0.871 -0.578 1.525 0.00 0.00 +0.074 A ATOM 8 C LIG 1 4.414 1.121 1.637 0.00 0.00 +0.062 C ATOM 9 C LIG 1 1.792 -1.486 1.026 0.00 0.00 +0.026 A ATOM 10 C LIG 1 5.633 0.192 1.551 0.00 0.00 +0.113 C ATOM 11 O LIG 1 6.642 -2.392 -0.757 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 15 ATOM 12 C LIG 1 9.932 1.292 -1.033 0.00 0.00 +0.052 A ATOM 13 C LIG 1 8.632 1.760 -1.262 0.00 0.00 +0.019 A ATOM 14 C LIG 1 7.534 0.934 -1.009 0.00 0.00 +0.014 A ATOM 15 C LIG 1 7.737 -0.358 -0.510 0.00 0.00 +0.037 A ATOM 16 C LIG 1 9.034 -0.838 -0.303 0.00 0.00 +0.014 A ATOM 17 C LIG 1 10.131 -0.010 -0.557 0.00 0.00 +0.019 A BRANCH 12 19 ATOM 18 N LIG 1 11.967 2.832 -1.502 0.00 0.00 -0.191 NA ATOM 19 C LIG 1 11.058 2.141 -1.295 0.00 0.00 +0.099 C ENDBRANCH 12 19 ENDBRANCH 1 15 BRANCH 7 20 ATOM 20 C LIG 1 -0.572 -0.698 1.698 0.00 0.00 +0.251 C ATOM 21 N LIG 1 -1.149 -1.778 1.052 0.00 0.00 -0.308 N ATOM 22 H LIG 1 -0.635 -2.192 0.287 0.00 0.00 +0.149 HD ATOM 23 O LIG 1 -1.263 0.088 2.345 0.00 0.00 -0.270 OA BRANCH 21 24 ATOM 24 C LIG 1 -2.595 -1.906 0.968 0.00 0.00 +0.137 C BRANCH 24 25 ATOM 25 C LIG 1 -3.170 -1.028 -0.152 0.00 0.00 +0.145 C BRANCH 25 26 ATOM 26 O LIG 1 -2.651 -1.493 -1.412 0.00 0.00 -0.389 OA ATOM 27 H LIG 1 -3.282 -1.143 -2.076 0.00 0.00 +0.210 HD ENDBRANCH 25 26 BRANCH 25 28 ATOM 28 C LIG 1 -4.711 -1.108 -0.187 0.00 0.00 +0.117 C BRANCH 28 29 ATOM 29 N LIG 1 -5.268 -0.395 -1.362 0.00 0.00 -0.295 NA ATOM 30 C LIG 1 -6.689 -0.747 -1.571 0.00 0.00 +0.120 C ATOM 31 C LIG 1 -7.675 0.201 -0.934 0.00 0.00 -0.030 A ATOM 32 C LIG 1 -7.439 1.579 -1.077 0.00 0.00 -0.042 A ATOM 33 C LIG 1 -8.360 2.507 -0.589 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -9.511 2.059 0.058 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -9.748 0.691 0.208 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -6.166 1.975 -1.776 0.00 0.00 +0.051 C ATOM 37 C LIG 1 -8.835 -0.239 -0.293 0.00 0.00 +0.005 A ATOM 38 C LIG 1 -5.029 1.069 -1.270 0.00 0.00 +0.089 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 7 20 TORSDOF 8