REMARK Name = BDB021676 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.573 0.790 -1.353 0.00 0.00 +0.163 C ATOM 2 C LIG 1 1.071 0.620 -0.984 0.00 0.00 +0.237 C ATOM 3 O LIG 1 0.490 1.570 -0.435 0.00 0.00 -0.274 OA ATOM 4 N LIG 1 0.374 -0.530 -1.249 0.00 0.00 -0.281 N ATOM 5 C LIG 1 0.896 -1.797 -1.748 0.00 0.00 +0.111 C ATOM 6 C LIG 1 -0.349 -2.679 -1.991 0.00 0.00 +0.036 C ATOM 7 C LIG 1 -1.524 -1.678 -2.069 0.00 0.00 -0.006 C ATOM 8 C LIG 1 -1.630 -1.077 -3.487 0.00 0.00 +0.013 C ATOM 9 C LIG 1 -2.856 -2.362 -1.741 0.00 0.00 +0.013 C ATOM 10 C LIG 1 2.043 -2.287 -0.884 0.00 0.00 +0.018 A ATOM 11 C LIG 1 3.287 -1.625 -1.034 0.00 0.00 -0.037 A ATOM 12 C LIG 1 4.425 -2.062 -0.335 0.00 0.00 +0.004 A ATOM 13 C LIG 1 4.343 -3.133 0.547 0.00 0.00 +0.004 A ATOM 14 C LIG 1 3.113 -3.738 0.770 0.00 0.00 +0.046 A ATOM 15 C LIG 1 1.979 -3.294 0.087 0.00 0.00 +0.122 A ATOM 16 C LIG 1 -1.083 -0.583 -1.067 0.00 0.00 +0.168 C ATOM 17 C LIG 1 3.383 -0.392 -1.900 0.00 0.00 +0.067 C ENDROOT BRANCH 1 19 ATOM 18 C LIG 1 4.343 2.173 -0.274 0.00 0.00 +0.230 C ATOM 19 N LIG 1 3.204 1.394 -0.171 0.00 0.00 -0.302 N ATOM 20 H LIG 1 2.585 1.591 0.610 0.00 0.00 +0.150 HD ATOM 21 O LIG 1 4.958 2.315 -1.327 0.00 0.00 -0.274 OA BRANCH 18 22 ATOM 22 C LIG 1 4.763 2.814 1.069 0.00 0.00 +0.137 C ATOM 23 C LIG 1 5.899 3.819 0.890 0.00 0.00 +0.034 C BRANCH 22 25 ATOM 24 C LIG 1 6.280 1.026 1.829 0.00 0.00 +0.101 C ATOM 25 N LIG 1 5.044 1.759 2.077 0.00 0.00 -0.309 NA ATOM 26 H LIG 1 4.272 1.090 2.064 0.00 0.00 +0.122 HD ENDBRANCH 22 25 ENDBRANCH 18 22 ENDBRANCH 1 19 BRANCH 16 27 ATOM 27 C LIG 1 -1.394 -0.935 0.411 0.00 0.00 +0.235 C ATOM 28 N LIG 1 -2.537 -0.470 0.994 0.00 0.00 -0.307 N ATOM 29 H LIG 1 -2.617 -0.731 1.970 0.00 0.00 +0.149 HD ATOM 30 O LIG 1 -0.687 -1.708 1.066 0.00 0.00 -0.274 OA BRANCH 28 31 ATOM 31 C LIG 1 -3.439 0.580 0.531 0.00 0.00 +0.103 C ATOM 32 C LIG 1 -4.832 0.383 1.112 0.00 0.00 -0.024 A ATOM 33 C LIG 1 -5.592 1.471 1.587 0.00 0.00 -0.042 A ATOM 34 C LIG 1 -6.880 1.249 2.100 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -7.430 -0.031 2.117 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -6.699 -1.105 1.621 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -5.042 2.875 1.607 0.00 0.00 +0.035 C ATOM 38 C LIG 1 -3.866 3.062 0.656 0.00 0.00 +0.007 C ATOM 39 C LIG 1 -5.414 -0.899 1.117 0.00 0.00 +0.006 A ATOM 40 C LIG 1 -2.843 1.956 0.869 0.00 0.00 +0.027 C ENDBRANCH 28 31 ENDBRANCH 16 27 BRANCH 15 41 ATOM 41 O LIG 1 0.801 -3.847 0.499 0.00 0.00 -0.506 OA ATOM 42 H LIG 1 0.263 -3.091 0.843 0.00 0.00 +0.292 HD ENDBRANCH 15 41 TORSDOF 6