REMARK Name = BDB062704 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.742 1.079 -1.497 0.00 0.00 -0.293 N ATOM 2 C LIG 1 0.882 1.732 -0.619 0.00 0.00 +0.247 C ATOM 3 O LIG 1 1.065 2.879 -0.220 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -0.323 0.979 -0.159 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.093 1.523 0.879 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -2.247 0.873 1.328 0.00 0.00 -0.026 A ATOM 7 C LIG 1 -2.621 -0.331 0.713 0.00 0.00 +0.014 A ATOM 8 C LIG 1 -1.866 -0.896 -0.333 0.00 0.00 -0.013 A ATOM 9 C LIG 1 -0.695 -0.236 -0.765 0.00 0.00 -0.026 A ATOM 10 C LIG 1 0.138 -0.749 -1.913 0.00 0.00 +0.055 C ATOM 11 C LIG 1 1.597 -0.351 -1.730 0.00 0.00 +0.113 C ENDROOT BRANCH 8 12 ATOM 12 C LIG 1 -2.338 -2.146 -0.950 0.00 0.00 -0.012 A ATOM 13 C LIG 1 -1.964 -3.413 -0.465 0.00 0.00 -0.025 A ATOM 14 C LIG 1 -1.064 -3.586 0.723 0.00 0.00 +0.046 C ATOM 15 C LIG 1 -2.465 -4.531 -1.127 0.00 0.00 +0.114 A ATOM 16 N LIG 1 -3.281 -4.482 -2.202 0.00 0.00 -0.263 NA ATOM 17 C LIG 1 -3.633 -3.257 -2.638 0.00 0.00 +0.111 A ATOM 18 C LIG 1 -3.195 -2.080 -2.056 0.00 0.00 +0.028 A ENDBRANCH 8 12 BRANCH 1 19 ATOM 19 C LIG 1 3.011 1.710 -1.844 0.00 0.00 +0.143 C BRANCH 19 24 ATOM 20 C LIG 1 6.161 -0.172 -0.793 0.00 0.00 +0.124 A ATOM 21 C LIG 1 6.272 0.216 0.547 0.00 0.00 +0.091 A ATOM 22 C LIG 1 5.343 1.089 1.114 0.00 0.00 +0.124 A ATOM 23 C LIG 1 4.296 1.573 0.328 0.00 0.00 +0.051 A ATOM 24 C LIG 1 4.165 1.195 -1.016 0.00 0.00 -0.023 A ATOM 25 C LIG 1 5.109 0.316 -1.570 0.00 0.00 +0.051 A BRANCH 20 27 ATOM 26 C LIG 1 7.110 -1.423 -2.583 0.00 0.00 +0.277 C ATOM 27 O LIG 1 7.139 -1.033 -1.216 0.00 0.00 -0.495 OA ENDBRANCH 20 27 BRANCH 22 28 ATOM 28 O LIG 1 5.345 1.538 2.406 0.00 0.00 -0.495 OA ATOM 29 C LIG 1 6.415 1.103 3.236 0.00 0.00 +0.277 C ENDBRANCH 22 28 ENDBRANCH 19 24 ENDBRANCH 1 19 BRANCH 6 30 ATOM 30 C LIG 1 -3.080 1.469 2.442 0.00 0.00 +0.159 C BRANCH 30 31 ATOM 31 N LIG 1 -4.377 1.896 1.961 0.00 0.00 -0.313 N ATOM 32 C LIG 1 -5.577 1.185 2.094 0.00 0.00 +0.204 A ATOM 33 N LIG 1 -5.813 0.065 2.676 0.00 0.00 -0.268 NA ATOM 34 H LIG 1 -4.958 -0.299 3.092 0.00 0.00 +0.190 HD ATOM 35 N LIG 1 -6.516 1.973 1.423 0.00 0.00 -0.320 N ATOM 36 C LIG 1 -7.881 1.561 1.210 0.00 0.00 +0.152 C ATOM 37 C LIG 1 -5.899 3.083 0.871 0.00 0.00 +0.106 A ATOM 38 C LIG 1 -4.602 3.043 1.202 0.00 0.00 +0.107 A ENDBRANCH 30 31 ENDBRANCH 6 30 TORSDOF 7