REMARK Name = BDB033659 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.799 -1.087 0.217 0.00 0.00 -0.028 A ATOM 2 C LIG 1 -1.296 -2.349 0.588 0.00 0.00 -0.046 A ATOM 3 C LIG 1 -2.598 -2.889 0.064 0.00 0.00 +0.044 C ATOM 4 C LIG 1 -0.560 -3.126 1.494 0.00 0.00 +0.004 A ATOM 5 C LIG 1 0.661 -2.680 2.012 0.00 0.00 +0.004 A ATOM 6 C LIG 1 1.195 -1.445 1.632 0.00 0.00 -0.038 A ATOM 7 C LIG 1 0.441 -0.662 0.739 0.00 0.00 +0.009 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 -1.521 -0.166 -0.751 0.00 0.00 +0.145 C BRANCH 8 19 ATOM 9 C LIG 1 -3.892 1.127 0.958 0.00 0.00 +0.189 C ATOM 10 O LIG 1 -4.557 2.202 0.273 0.00 0.00 -0.486 OA ATOM 11 C LIG 1 -4.714 1.936 -1.057 0.00 0.00 +0.147 A ATOM 12 C LIG 1 -3.666 1.970 -1.974 0.00 0.00 +0.147 A ATOM 13 C LIG 1 -3.906 1.693 -3.326 0.00 0.00 +0.032 A ATOM 14 C LIG 1 -5.200 1.398 -3.755 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -6.253 1.389 -2.841 0.00 0.00 +0.004 A ATOM 16 S LIG 1 -2.027 2.389 -1.453 0.00 0.00 +0.065 S ATOM 17 O LIG 1 -1.140 2.132 -2.571 0.00 0.00 -0.153 OA ATOM 18 O LIG 1 -2.075 3.698 -0.839 0.00 0.00 -0.153 OA ATOM 19 N LIG 1 -1.676 1.228 -0.263 0.00 0.00 -0.169 NA ATOM 20 C LIG 1 -6.011 1.666 -1.495 0.00 0.00 +0.047 A ATOM 21 C LIG 1 -2.381 1.396 1.043 0.00 0.00 +0.154 C BRANCH 9 23 ATOM 22 C LIG 1 -4.404 2.256 3.218 0.00 0.00 +0.007 C ATOM 23 C LIG 1 -4.529 1.006 2.354 0.00 0.00 +0.042 C ENDBRANCH 9 23 ENDBRANCH 8 19 ENDBRANCH 1 8 BRANCH 6 24 ATOM 24 C LIG 1 2.518 -0.892 2.172 0.00 0.00 +0.076 C BRANCH 24 25 ATOM 25 C LIG 1 3.407 -0.322 1.068 0.00 0.00 +0.027 A ATOM 26 N LIG 1 3.914 -1.012 -0.018 0.00 0.00 -0.344 N ATOM 27 C LIG 1 3.726 -2.417 -0.330 0.00 0.00 +0.149 C ATOM 28 C LIG 1 4.637 -0.150 -0.838 0.00 0.00 +0.085 A ATOM 29 C LIG 1 4.638 1.081 -0.205 0.00 0.00 +0.031 A ATOM 30 C LIG 1 3.865 0.980 0.968 0.00 0.00 +0.024 A BRANCH 28 31 ATOM 31 C LIG 1 5.293 -0.565 -2.066 0.00 0.00 +0.182 C ATOM 32 O LIG 1 5.876 -1.639 -2.175 0.00 0.00 -0.290 OA BRANCH 31 33 ATOM 33 C LIG 1 5.197 0.293 -3.287 0.00 0.00 +0.062 C ATOM 34 C LIG 1 5.992 1.572 -3.398 0.00 0.00 +0.012 C ATOM 35 C LIG 1 4.489 1.615 -3.422 0.00 0.00 +0.012 C ENDBRANCH 31 33 ENDBRANCH 28 31 ENDBRANCH 24 25 BRANCH 24 36 ATOM 36 C LIG 1 3.373 -1.810 3.071 0.00 0.00 +0.134 C BRANCH 36 37 ATOM 37 C LIG 1 2.832 -1.929 4.476 0.00 0.00 +0.306 C ATOM 38 O LIG 1 1.812 -1.412 4.899 0.00 0.00 -0.251 OA BRANCH 37 39 ATOM 39 O LIG 1 3.617 -2.708 5.259 0.00 0.00 -0.481 OA ATOM 40 H LIG 1 4.419 -3.043 4.814 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 24 36 ENDBRANCH 6 24 TORSDOF 10