REMARK Name = BDB061009 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.121 0.030 0.461 0.00 0.00 +0.035 A ATOM 2 C LIG 1 0.779 -0.408 -0.729 0.00 0.00 +0.005 A ATOM 3 C LIG 1 2.105 -0.926 -0.677 0.00 0.00 +0.010 A ATOM 4 C LIG 1 2.708 -1.350 -1.899 0.00 0.00 +0.113 A ATOM 5 C LIG 1 2.023 -1.280 -3.121 0.00 0.00 +0.029 A ATOM 6 C LIG 1 0.731 -0.784 -3.159 0.00 0.00 +0.003 A ATOM 7 C LIG 1 2.730 -0.980 0.592 0.00 0.00 +0.010 A ATOM 8 C LIG 1 2.097 -0.531 1.747 0.00 0.00 +0.002 A ATOM 9 C LIG 1 0.124 -0.356 -1.981 0.00 0.00 +0.010 A ATOM 10 C LIG 1 0.809 -0.018 1.679 0.00 0.00 +0.023 A ENDROOT BRANCH 4 11 ATOM 11 S LIG 1 4.368 -1.993 -1.955 0.00 0.00 +0.059 S ATOM 12 O LIG 1 4.754 -2.180 -3.338 0.00 0.00 -0.153 OA ATOM 13 O LIG 1 4.485 -3.062 -0.991 0.00 0.00 -0.153 OA BRANCH 11 14 ATOM 14 N LIG 1 5.280 -0.667 -1.431 0.00 0.00 -0.186 NA ATOM 15 H LIG 1 5.412 -0.039 -2.227 0.00 0.00 +0.148 HD BRANCH 14 16 ATOM 16 C LIG 1 6.599 -1.042 -0.880 0.00 0.00 +0.141 C BRANCH 16 17 ATOM 17 C LIG 1 7.408 0.190 -0.549 0.00 0.00 -0.032 A ATOM 18 C LIG 1 6.943 1.103 0.410 0.00 0.00 +0.005 A ATOM 19 C LIG 1 7.685 2.244 0.720 0.00 0.00 +0.000 A ATOM 20 C LIG 1 8.897 2.483 0.076 0.00 0.00 +0.000 A ATOM 21 C LIG 1 9.368 1.584 -0.879 0.00 0.00 +0.000 A ATOM 22 C LIG 1 8.628 0.442 -1.191 0.00 0.00 +0.005 A ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 11 14 ENDBRANCH 4 11 BRANCH 1 23 ATOM 23 N LIG 1 -1.157 0.631 0.351 0.00 0.00 -0.340 N ATOM 24 H LIG 1 -1.000 1.577 -0.003 0.00 0.00 +0.146 HD BRANCH 23 30 ATOM 25 O LIG 1 -6.546 -1.359 2.838 0.00 0.00 -0.270 OA ATOM 26 C LIG 1 -6.191 -0.776 1.816 0.00 0.00 +0.247 C ATOM 27 N LIG 1 -4.870 -0.406 1.570 0.00 0.00 -0.297 N ATOM 28 C LIG 1 -4.457 0.586 0.575 0.00 0.00 +0.110 C ATOM 29 C LIG 1 -3.330 1.465 1.106 0.00 0.00 +0.041 C ATOM 30 C LIG 1 -2.087 0.641 1.495 0.00 0.00 +0.073 C ATOM 31 C LIG 1 -2.457 -0.796 1.904 0.00 0.00 +0.041 C ATOM 32 C LIG 1 -3.852 -0.868 2.508 0.00 0.00 +0.110 C BRANCH 26 33 ATOM 33 C LIG 1 -7.226 -0.462 0.803 0.00 0.00 +0.037 A ATOM 34 C LIG 1 -8.399 0.178 1.214 0.00 0.00 +0.013 A ATOM 35 C LIG 1 -9.395 0.465 0.280 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -9.224 0.099 -1.057 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -8.064 -0.564 -1.462 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -7.065 -0.853 -0.532 0.00 0.00 +0.013 A ENDBRANCH 26 33 ENDBRANCH 23 30 ENDBRANCH 1 23 TORSDOF 7