REMARK Name = BDB013565 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.849 2.653 -0.036 0.00 0.00 +0.044 C ATOM 2 C LIG 1 0.784 1.604 -0.209 0.00 0.00 -0.046 A ATOM 3 C LIG 1 0.816 0.381 0.490 0.00 0.00 -0.028 A ATOM 4 C LIG 1 -0.209 -0.567 0.276 0.00 0.00 +0.009 A ATOM 5 C LIG 1 -1.263 -0.329 -0.617 0.00 0.00 -0.039 A ATOM 6 C LIG 1 -1.256 0.887 -1.320 0.00 0.00 +0.004 A ATOM 7 C LIG 1 -0.252 1.836 -1.121 0.00 0.00 +0.004 A ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 1.919 0.050 1.486 0.00 0.00 +0.144 C BRANCH 8 9 ATOM 9 N LIG 1 3.268 -0.019 0.851 0.00 0.00 -0.172 NA ATOM 10 S LIG 1 4.539 0.342 1.935 0.00 0.00 +0.061 S ATOM 11 O LIG 1 4.091 1.419 2.796 0.00 0.00 -0.153 OA ATOM 12 O LIG 1 5.037 -0.893 2.499 0.00 0.00 -0.153 OA ATOM 13 C LIG 1 5.804 1.025 0.878 0.00 0.00 +0.109 A ATOM 14 C LIG 1 6.350 0.298 -0.192 0.00 0.00 -0.021 A ATOM 15 C LIG 1 7.357 0.907 -0.964 0.00 0.00 +0.005 A ATOM 16 C LIG 1 7.804 2.199 -0.681 0.00 0.00 +0.000 A ATOM 17 C LIG 1 7.253 2.909 0.380 0.00 0.00 +0.002 A ATOM 18 C LIG 1 5.901 -1.090 -0.562 0.00 0.00 +0.038 C ATOM 19 C LIG 1 4.459 -1.123 -1.060 0.00 0.00 +0.022 C ATOM 20 C LIG 1 6.257 2.325 1.159 0.00 0.00 +0.029 A ATOM 21 C LIG 1 3.436 -1.267 0.056 0.00 0.00 +0.110 C ENDBRANCH 8 9 ENDBRANCH 3 8 BRANCH 5 22 ATOM 22 C LIG 1 -2.398 -1.321 -0.888 0.00 0.00 +0.060 C BRANCH 22 23 ATOM 23 C LIG 1 -3.797 -0.748 -0.601 0.00 0.00 -0.034 A ATOM 24 C LIG 1 -4.880 -0.933 -1.509 0.00 0.00 -0.017 A ATOM 25 C LIG 1 -4.711 -1.638 -2.826 0.00 0.00 +0.046 C ATOM 26 C LIG 1 -6.137 -0.406 -1.136 0.00 0.00 +0.116 A ATOM 27 N LIG 1 -7.338 -0.440 -1.800 0.00 0.00 -0.129 NA ATOM 28 N LIG 1 -8.242 0.183 -1.058 0.00 0.00 -0.065 NA ATOM 29 N LIG 1 -7.623 0.611 0.057 0.00 0.00 -0.247 N ATOM 30 C LIG 1 -8.376 1.335 1.046 0.00 0.00 +0.175 C ATOM 31 C LIG 1 -6.299 0.264 0.070 0.00 0.00 +0.089 A ATOM 32 C LIG 1 -5.258 0.462 0.974 0.00 0.00 +0.030 A ATOM 33 C LIG 1 -4.012 -0.058 0.614 0.00 0.00 +0.007 A ENDBRANCH 22 23 BRANCH 22 34 ATOM 34 C LIG 1 -2.265 -2.756 -0.339 0.00 0.00 +0.133 C BRANCH 34 35 ATOM 35 C LIG 1 -2.517 -2.933 1.140 0.00 0.00 +0.306 C ATOM 36 O LIG 1 -1.633 -2.959 1.983 0.00 0.00 -0.251 OA BRANCH 35 37 ATOM 37 O LIG 1 -3.817 -3.101 1.466 0.00 0.00 -0.481 OA ATOM 38 H LIG 1 -4.441 -3.004 0.721 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 22 34 ENDBRANCH 5 22 TORSDOF 7