REMARK Name = BDB057992 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.206 -2.840 -0.308 0.00 0.00 +0.191 A ATOM 2 C LIG 1 -0.645 -1.489 -0.265 0.00 0.00 +0.094 A ATOM 3 C LIG 1 0.512 -0.718 -0.293 0.00 0.00 +0.097 A ATOM 4 N LIG 1 1.575 -1.630 -0.372 0.00 0.00 -0.229 N ATOM 5 N LIG 1 1.121 -2.912 -0.446 0.00 0.00 -0.157 NA ENDROOT BRANCH 3 6 ATOM 6 C LIG 1 0.659 0.733 -0.206 0.00 0.00 +0.003 A ATOM 7 C LIG 1 1.046 1.481 -1.325 0.00 0.00 +0.013 A ATOM 8 C LIG 1 1.200 2.870 -1.234 0.00 0.00 +0.046 A ATOM 9 C LIG 1 0.967 3.526 -0.025 0.00 0.00 +0.121 A ATOM 10 C LIG 1 0.568 2.780 1.087 0.00 0.00 +0.046 A ATOM 11 C LIG 1 0.409 1.394 1.002 0.00 0.00 +0.013 A BRANCH 9 12 ATOM 12 O LIG 1 1.080 4.867 0.209 0.00 0.00 -0.489 OA BRANCH 12 13 ATOM 13 C LIG 1 1.497 5.732 -0.851 0.00 0.00 +0.167 C ATOM 14 C LIG 1 2.118 6.962 -0.192 0.00 0.00 +0.051 C ATOM 15 C LIG 1 0.294 6.147 -1.695 0.00 0.00 +0.051 C ENDBRANCH 12 13 ENDBRANCH 9 12 ENDBRANCH 3 6 BRANCH 4 16 ATOM 16 C LIG 1 3.001 -1.440 -0.351 0.00 0.00 +0.066 A ATOM 17 C LIG 1 3.612 -0.245 0.047 0.00 0.00 +0.031 A ATOM 18 C LIG 1 5.008 -0.124 0.046 0.00 0.00 +0.048 A ATOM 19 C LIG 1 5.809 -1.200 -0.325 0.00 0.00 +0.129 A ATOM 20 C LIG 1 5.220 -2.396 -0.729 0.00 0.00 +0.048 A ATOM 21 C LIG 1 3.827 -2.518 -0.728 0.00 0.00 +0.031 A BRANCH 19 22 ATOM 22 O LIG 1 7.169 -0.995 -0.332 0.00 0.00 -0.456 OA BRANCH 22 23 ATOM 23 C LIG 1 7.961 -1.979 0.215 0.00 0.00 +0.128 A ATOM 24 C LIG 1 7.709 -2.540 1.470 0.00 0.00 +0.046 A ATOM 25 C LIG 1 8.573 -3.508 1.982 0.00 0.00 +0.004 A ATOM 26 C LIG 1 9.694 -3.902 1.250 0.00 0.00 +0.000 A ATOM 27 C LIG 1 9.957 -3.323 0.008 0.00 0.00 +0.004 A ATOM 28 C LIG 1 9.094 -2.356 -0.507 0.00 0.00 +0.046 A ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 4 16 BRANCH 2 29 ATOM 29 N LIG 1 -1.987 -1.117 -0.170 0.00 0.00 -0.278 N ATOM 30 H LIG 1 -2.631 -1.892 -0.016 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -2.552 0.066 -0.601 0.00 0.00 +0.248 C ATOM 32 O LIG 1 -2.008 0.930 -1.275 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -4.002 0.221 -0.277 0.00 0.00 +0.037 A ATOM 34 C LIG 1 -4.583 -0.385 0.845 0.00 0.00 +0.016 A ATOM 35 C LIG 1 -5.947 -0.212 1.116 0.00 0.00 +0.046 A ATOM 36 C LIG 1 -6.740 0.568 0.275 0.00 0.00 +0.121 A ATOM 37 C LIG 1 -6.152 1.189 -0.831 0.00 0.00 +0.046 A ATOM 38 C LIG 1 -4.793 1.022 -1.107 0.00 0.00 +0.016 A BRANCH 36 39 ATOM 39 O LIG 1 -8.073 0.823 0.421 0.00 0.00 -0.489 OA BRANCH 39 40 ATOM 40 C LIG 1 -8.815 0.132 1.432 0.00 0.00 +0.167 C ATOM 41 C LIG 1 -10.254 0.036 0.930 0.00 0.00 +0.051 C ATOM 42 C LIG 1 -8.771 0.919 2.738 0.00 0.00 +0.051 C ENDBRANCH 39 40 ENDBRANCH 36 39 ENDBRANCH 31 33 ENDBRANCH 2 29 BRANCH 1 43 ATOM 43 C LIG 1 -1.067 -4.029 -0.250 0.00 0.00 +0.361 C ATOM 44 O LIG 1 -2.283 -3.949 -0.076 0.00 0.00 -0.243 OA BRANCH 43 46 ATOM 45 C LIG 1 -1.213 -6.370 -0.343 0.00 0.00 +0.280 C ATOM 46 O LIG 1 -0.390 -5.206 -0.396 0.00 0.00 -0.463 OA ENDBRANCH 43 46 ENDBRANCH 1 43 TORSDOF 12