REMARK Name = BDB028660 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.403 0.223 -1.842 0.00 0.00 +0.192 A ATOM 2 C LIG 1 0.825 -0.315 -1.376 0.00 0.00 +0.106 A ATOM 3 C LIG 1 1.615 0.799 -1.173 0.00 0.00 +0.173 A ATOM 4 C LIG 1 2.926 0.761 -0.713 0.00 0.00 +0.055 A ATOM 5 C LIG 1 3.460 -0.511 -0.443 0.00 0.00 -0.019 A ATOM 6 C LIG 1 2.674 -1.667 -0.637 0.00 0.00 +0.052 A ATOM 7 O LIG 1 0.908 1.916 -1.488 0.00 0.00 -0.353 OA ATOM 8 C LIG 1 1.348 -1.595 -1.106 0.00 0.00 +0.135 A ATOM 9 N LIG 1 -0.361 1.556 -1.907 0.00 0.00 -0.060 NA ENDROOT BRANCH 1 10 ATOM 10 N LIG 1 -1.503 -0.553 -2.170 0.00 0.00 -0.196 N ATOM 11 H LIG 1 -1.447 -1.561 -2.038 0.00 0.00 +0.175 HD BRANCH 10 12 ATOM 12 S LIG 1 -2.973 0.021 -2.686 0.00 0.00 +0.074 S ATOM 13 O LIG 1 -3.832 -1.141 -2.807 0.00 0.00 -0.150 OA ATOM 14 O LIG 1 -2.785 0.911 -3.812 0.00 0.00 -0.150 OA BRANCH 12 17 ATOM 15 C LIG 1 -4.562 1.000 0.904 0.00 0.00 +0.122 A ATOM 16 C LIG 1 -4.078 0.280 -0.190 0.00 0.00 +0.074 A ATOM 17 C LIG 1 -3.561 0.957 -1.299 0.00 0.00 +0.112 A ATOM 18 C LIG 1 -3.545 2.352 -1.338 0.00 0.00 +0.029 A ATOM 19 C LIG 1 -4.028 3.069 -0.245 0.00 0.00 +0.005 A ATOM 20 C LIG 1 -4.533 2.396 0.873 0.00 0.00 +0.046 A BRANCH 15 22 ATOM 21 C LIG 1 -5.576 0.911 3.052 0.00 0.00 +0.277 C ATOM 22 O LIG 1 -5.030 0.228 1.931 0.00 0.00 -0.495 OA ENDBRANCH 15 22 ENDBRANCH 12 17 ENDBRANCH 10 12 ENDBRANCH 1 10 BRANCH 8 23 ATOM 23 O LIG 1 0.519 -2.663 -1.315 0.00 0.00 -0.494 OA ATOM 24 C LIG 1 1.063 -3.962 -1.109 0.00 0.00 +0.277 C ENDBRANCH 8 23 BRANCH 5 25 ATOM 25 C LIG 1 4.879 -0.630 0.069 0.00 0.00 +0.178 C BRANCH 25 26 ATOM 26 N LIG 1 4.982 -0.207 1.458 0.00 0.00 -0.267 N ATOM 27 N LIG 1 5.421 1.034 1.755 0.00 0.00 -0.179 NA ATOM 28 C LIG 1 5.399 1.066 3.090 0.00 0.00 +0.134 A ATOM 29 C LIG 1 4.964 -0.150 3.648 0.00 0.00 +0.041 A ATOM 30 C LIG 1 4.708 -0.959 2.567 0.00 0.00 +0.108 A ENDBRANCH 25 26 ENDBRANCH 5 25 TORSDOF 7