REMARK Name = BDB060573 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.369 -1.268 2.065 0.00 0.00 +0.096 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 1.096 -0.651 2.188 0.00 0.00 +0.124 A ATOM 3 C LIG 1 -0.011 -1.319 2.734 0.00 0.00 +0.000 A ATOM 4 C LIG 1 0.162 -2.043 3.925 0.00 0.00 +0.007 A ATOM 5 C LIG 1 1.408 -2.092 4.553 0.00 0.00 +0.001 A ATOM 6 C LIG 1 2.493 -1.409 4.007 0.00 0.00 +0.004 A ATOM 7 C LIG 1 2.336 -0.680 2.829 0.00 0.00 +0.046 A BRANCH 2 8 ATOM 8 O LIG 1 0.925 0.099 1.053 0.00 0.00 -0.488 OA BRANCH 8 9 ATOM 9 C LIG 1 1.641 -0.438 -0.070 0.00 0.00 +0.256 C BRANCH 9 12 ATOM 10 C LIG 1 4.709 -1.076 -0.376 0.00 0.00 +0.039 C ATOM 11 C LIG 1 4.058 0.265 -0.590 0.00 0.00 -0.073 C ATOM 12 C LIG 1 2.741 0.515 -0.441 0.00 0.00 +0.012 C BRANCH 11 13 ATOM 13 C LIG 1 5.007 1.389 -0.967 0.00 0.00 +0.041 C BRANCH 13 14 ATOM 14 C LIG 1 5.489 1.286 -2.413 0.00 0.00 +0.125 C BRANCH 14 15 ATOM 15 C LIG 1 6.385 2.440 -2.767 0.00 0.00 +0.305 C ATOM 16 O LIG 1 6.792 3.320 -2.029 0.00 0.00 -0.251 OA BRANCH 15 17 ATOM 17 O LIG 1 6.742 2.419 -4.067 0.00 0.00 -0.481 OA ATOM 18 H LIG 1 7.316 3.206 -4.170 0.00 0.00 +0.295 HD ENDBRANCH 15 17 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 11 13 ENDBRANCH 9 12 ENDBRANCH 8 9 ENDBRANCH 2 8 ENDBRANCH 1 3 BRANCH 1 19 ATOM 19 C LIG 1 -1.452 -2.022 0.778 0.00 0.00 +0.072 A ATOM 20 N LIG 1 -2.112 -1.585 -0.368 0.00 0.00 -0.216 N ATOM 21 N LIG 1 -1.743 -2.371 -1.413 0.00 0.00 -0.060 NA ATOM 22 N LIG 1 -1.058 -3.402 -0.951 0.00 0.00 -0.134 NA ATOM 23 C LIG 1 -0.877 -3.224 0.387 0.00 0.00 +0.084 A ATOM 24 C LIG 1 -0.096 -4.215 1.158 0.00 0.00 +0.069 C BRANCH 20 25 ATOM 25 C LIG 1 -3.059 -0.542 -0.578 0.00 0.00 +0.067 A ATOM 26 C LIG 1 -3.804 0.011 0.466 0.00 0.00 +0.028 A ATOM 27 C LIG 1 -4.733 1.029 0.210 0.00 0.00 +0.013 A ATOM 28 C LIG 1 -4.952 1.509 -1.089 0.00 0.00 +0.017 A ATOM 29 C LIG 1 -4.220 0.930 -2.134 0.00 0.00 +0.013 A ATOM 30 C LIG 1 -3.291 -0.088 -1.886 0.00 0.00 +0.028 A BRANCH 28 31 ATOM 31 C LIG 1 -5.919 2.572 -1.355 0.00 0.00 +0.135 A ATOM 32 O LIG 1 -6.585 3.074 -0.269 0.00 0.00 -0.463 OA ATOM 33 C LIG 1 -7.427 4.039 -0.717 0.00 0.00 +0.196 A ATOM 34 C LIG 1 -7.321 4.174 -2.080 0.00 0.00 +0.042 A ATOM 35 C LIG 1 -6.350 3.229 -2.493 0.00 0.00 +0.050 A ENDBRANCH 28 31 ENDBRANCH 20 25 ENDBRANCH 1 19 TORSDOF 11