REMARK Name = BDB027002 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.495 -2.170 0.452 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.239 -3.401 1.313 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -0.683 -3.256 2.597 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.456 -4.369 3.408 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.795 -5.641 2.957 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.370 -5.801 1.699 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.597 -4.689 0.886 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 N LIG 1 -2.947 -1.865 0.448 0.00 0.00 -0.303 NA ATOM 9 H LIG 1 -3.281 -1.832 1.409 0.00 0.00 +0.123 HD BRANCH 8 10 ATOM 10 C LIG 1 -3.325 -0.644 -0.272 0.00 0.00 +0.089 C BRANCH 10 12 ATOM 11 C LIG 1 -3.168 0.961 1.718 0.00 0.00 +0.014 C ATOM 12 C LIG 1 -2.753 0.692 0.267 0.00 0.00 +0.030 C BRANCH 12 13 ATOM 13 C LIG 1 -3.137 1.837 -0.662 0.00 0.00 -0.043 A ATOM 14 C LIG 1 -2.175 2.369 -1.536 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -2.505 3.404 -2.416 0.00 0.00 +0.019 A ATOM 16 C LIG 1 -3.802 3.921 -2.437 0.00 0.00 +0.052 A ATOM 17 C LIG 1 -4.769 3.394 -1.577 0.00 0.00 +0.019 A ATOM 18 C LIG 1 -4.439 2.357 -0.699 0.00 0.00 +0.005 A BRANCH 16 19 ATOM 19 C LIG 1 -4.141 4.982 -3.339 0.00 0.00 +0.099 C ATOM 20 N LIG 1 -4.415 5.843 -4.068 0.00 0.00 -0.191 NA ENDBRANCH 16 19 ENDBRANCH 12 13 ENDBRANCH 10 12 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 1 21 ATOM 21 C LIG 1 -0.946 -2.324 -0.997 0.00 0.00 +0.188 C ATOM 22 O LIG 1 -1.422 -3.120 -1.809 0.00 0.00 -0.290 OA BRANCH 21 23 ATOM 23 C LIG 1 0.090 -1.399 -1.441 0.00 0.00 +0.064 A ATOM 24 C LIG 1 1.194 -0.896 -0.778 0.00 0.00 +0.077 A ATOM 25 N LIG 1 1.817 0.004 -1.651 0.00 0.00 -0.239 N ATOM 26 C LIG 1 2.945 0.739 -1.291 0.00 0.00 +0.121 A ATOM 27 C LIG 1 3.512 0.603 -0.075 0.00 0.00 +0.003 A ATOM 28 C LIG 1 2.900 -0.382 0.825 0.00 0.00 +0.012 A ATOM 29 N LIG 1 1.165 0.062 -2.838 0.00 0.00 -0.174 NA ATOM 30 C LIG 1 1.809 -1.095 0.490 0.00 0.00 +0.029 A ATOM 31 C LIG 1 0.166 -0.810 -2.720 0.00 0.00 +0.146 A BRANCH 27 32 ATOM 32 C LIG 1 4.659 1.358 0.334 0.00 0.00 +0.021 A ATOM 33 C LIG 1 5.654 1.857 -0.481 0.00 0.00 +0.116 A ATOM 34 N LIG 1 6.534 2.500 0.342 0.00 0.00 -0.274 N ATOM 35 C LIG 1 7.747 3.179 -0.042 0.00 0.00 +0.172 C ATOM 36 N LIG 1 6.178 2.462 1.639 0.00 0.00 -0.179 NA ATOM 37 C LIG 1 5.037 1.767 1.632 0.00 0.00 +0.143 A ENDBRANCH 27 32 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 9