REMARK Name = BDB034630 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.057 0.003 0.862 0.00 0.00 +0.267 C ATOM 2 N LIG 1 -0.228 -0.523 0.602 0.00 0.00 -0.292 N ATOM 3 O LIG 1 1.259 1.219 0.933 0.00 0.00 -0.268 OA ENDROOT BRANCH 2 4 ATOM 4 C LIG 1 -1.332 0.463 0.572 0.00 0.00 +0.091 C ATOM 5 C LIG 1 -2.746 -0.108 0.777 0.00 0.00 +0.037 C ATOM 6 C LIG 1 -3.779 1.005 0.536 0.00 0.00 +0.091 C ATOM 7 C LIG 1 -3.707 1.472 -0.931 0.00 0.00 +0.093 C ATOM 8 N LIG 1 -2.402 1.321 -1.587 0.00 0.00 -0.313 NA ATOM 9 H LIG 1 -2.362 0.402 -2.025 0.00 0.00 +0.122 HD ATOM 10 C LIG 1 -1.276 1.437 -0.646 0.00 0.00 +0.103 C BRANCH 6 11 ATOM 11 C LIG 1 -5.189 0.516 0.849 0.00 0.00 +0.220 C ATOM 12 N LIG 1 -6.186 1.453 1.091 0.00 0.00 -0.294 N ATOM 13 C LIG 1 -7.581 0.982 1.263 0.00 0.00 +0.099 C ATOM 14 C LIG 1 -7.780 0.289 2.614 0.00 0.00 +0.030 C ATOM 15 C LIG 1 -8.596 2.143 1.136 0.00 0.00 +0.182 C ATOM 16 O LIG 1 -8.324 2.979 0.006 0.00 0.00 -0.376 OA ATOM 17 C LIG 1 -6.981 3.493 -0.022 0.00 0.00 +0.179 C ATOM 18 C LIG 1 -6.043 2.909 1.044 0.00 0.00 +0.136 C ATOM 19 O LIG 1 -5.434 -0.692 0.848 0.00 0.00 -0.275 OA ENDBRANCH 6 11 ENDBRANCH 2 4 BRANCH 1 21 ATOM 20 C LIG 1 3.438 -0.587 0.367 0.00 0.00 +0.059 A ATOM 21 C LIG 1 2.241 -0.894 1.032 0.00 0.00 +0.146 A ATOM 22 N LIG 1 2.089 -1.929 1.902 0.00 0.00 -0.248 NA ATOM 23 C LIG 1 3.166 -2.726 2.076 0.00 0.00 +0.115 A ATOM 24 C LIG 1 4.392 -2.576 1.434 0.00 0.00 -0.024 A ATOM 25 C LIG 1 4.490 -1.491 0.551 0.00 0.00 +0.030 A BRANCH 24 26 ATOM 26 C LIG 1 5.520 -3.554 1.661 0.00 0.00 +0.021 C ATOM 27 C LIG 1 6.965 -3.113 1.677 0.00 0.00 +0.009 C ATOM 28 C LIG 1 6.289 -3.490 2.962 0.00 0.00 +0.009 C ENDBRANCH 24 26 BRANCH 20 29 ATOM 29 N LIG 1 3.546 0.515 -0.531 0.00 0.00 -0.339 N ATOM 30 H LIG 1 2.879 1.238 -0.224 0.00 0.00 +0.146 HD BRANCH 29 33 ATOM 31 C LIG 1 5.706 1.837 -2.749 0.00 0.00 +0.121 C ATOM 32 C LIG 1 4.550 2.343 -1.853 0.00 0.00 +0.054 C ATOM 33 C LIG 1 4.782 1.099 -0.965 0.00 0.00 +0.075 C ATOM 34 C LIG 1 5.392 0.418 -2.211 0.00 0.00 +0.054 C BRANCH 31 36 ATOM 35 C LIG 1 8.072 1.992 -3.281 0.00 0.00 +0.194 C ATOM 36 O LIG 1 7.009 2.376 -2.423 0.00 0.00 -0.380 OA ENDBRANCH 31 36 ENDBRANCH 29 33 ENDBRANCH 20 29 ENDBRANCH 1 21 BRANCH 2 37 ATOM 37 C LIG 1 -0.457 -1.915 0.173 0.00 0.00 +0.111 C BRANCH 37 38 ATOM 38 C LIG 1 -0.639 -2.093 -1.345 0.00 0.00 +0.000 C ATOM 39 C LIG 1 -1.065 -3.530 -1.651 0.00 0.00 +0.009 C ATOM 40 C LIG 1 0.633 -1.755 -2.123 0.00 0.00 +0.009 C ENDBRANCH 37 38 ENDBRANCH 2 37 TORSDOF 9