REMARK Name = BDB024291 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.025 -0.291 0.798 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.555 -1.680 0.480 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.154 -2.380 -0.670 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.658 -3.653 -0.942 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.570 -4.244 -0.070 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.976 -3.564 1.076 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.472 -2.292 1.351 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.488 -0.354 1.167 0.00 0.00 +0.240 C ATOM 9 N LIG 1 1.292 -0.033 0.087 0.00 0.00 -0.269 N ATOM 10 H LIG 1 0.786 0.193 -0.761 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 0.850 -0.666 2.298 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 2.685 0.011 0.070 0.00 0.00 +0.125 A ATOM 13 N LIG 1 3.396 -0.246 1.179 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 4.749 -0.189 1.095 0.00 0.00 +0.121 A ATOM 15 C LIG 1 5.455 0.120 -0.062 0.00 0.00 +0.003 A ATOM 16 C LIG 1 4.694 0.391 -1.199 0.00 0.00 +0.013 A ATOM 17 C LIG 1 3.299 0.336 -1.135 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 6.905 0.170 -0.098 0.00 0.00 +0.021 A ATOM 19 C LIG 1 7.751 -0.490 0.771 0.00 0.00 +0.116 A ATOM 20 N LIG 1 9.023 -0.185 0.379 0.00 0.00 -0.274 N ATOM 21 C LIG 1 10.252 -0.642 0.981 0.00 0.00 +0.172 C ATOM 22 N LIG 1 9.072 0.628 -0.691 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 7.786 0.842 -0.979 0.00 0.00 +0.143 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 -1.218 0.694 -0.317 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -0.867 1.592 0.025 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -2.629 0.869 -0.707 0.00 0.00 +0.090 C BRANCH 26 28 ATOM 27 C LIG 1 -3.146 2.853 0.833 0.00 0.00 +0.014 C ATOM 28 C LIG 1 -3.585 1.462 0.360 0.00 0.00 +0.033 C BRANCH 28 29 ATOM 29 C LIG 1 -5.012 1.475 -0.170 0.00 0.00 -0.008 A ATOM 30 C LIG 1 -5.946 0.554 0.324 0.00 0.00 +0.128 A ATOM 31 F LIG 1 -5.585 -0.324 1.270 0.00 0.00 -0.205 F ATOM 32 C LIG 1 -7.257 0.519 -0.143 0.00 0.00 +0.057 A ATOM 33 C LIG 1 -7.661 1.417 -1.131 0.00 0.00 +0.055 A ATOM 34 C LIG 1 -6.744 2.341 -1.643 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -5.428 2.369 -1.168 0.00 0.00 +0.008 A BRANCH 33 36 ATOM 36 C LIG 1 -9.008 1.391 -1.621 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -10.097 1.373 -2.020 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9