REMARK Name = BDB061711 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.457 0.423 1.413 0.00 0.00 +0.073 A ATOM 2 N LIG 1 -2.664 0.627 0.323 0.00 0.00 -0.249 NA ATOM 3 C LIG 1 -1.379 0.228 0.358 0.00 0.00 +0.076 A ATOM 4 C LIG 1 -0.830 -0.405 1.477 0.00 0.00 +0.019 A ATOM 5 C LIG 1 0.508 -0.779 1.417 0.00 0.00 +0.123 A ATOM 6 N LIG 1 1.304 -0.573 0.346 0.00 0.00 -0.239 NA ATOM 7 C LIG 1 0.765 0.029 -0.733 0.00 0.00 +0.125 A ATOM 8 C LIG 1 -1.648 -0.627 2.591 0.00 0.00 +0.013 A ATOM 9 C LIG 1 -0.566 0.441 -0.741 0.00 0.00 +0.072 A ATOM 10 C LIG 1 -2.974 -0.212 2.556 0.00 0.00 +0.027 A ENDROOT BRANCH 1 11 ATOM 11 C LIG 1 -4.928 0.864 1.324 0.00 0.00 +0.108 C ATOM 12 C LIG 1 -5.053 2.134 0.462 0.00 0.00 +0.048 C BRANCH 11 17 ATOM 13 C LIG 1 -8.320 -0.751 -1.919 0.00 0.00 +0.104 C ATOM 14 N LIG 1 -7.842 -1.670 -0.890 0.00 0.00 -0.305 NA ATOM 15 C LIG 1 -8.172 -1.218 0.464 0.00 0.00 +0.084 C ATOM 16 C LIG 1 -7.331 -0.032 0.949 0.00 0.00 +0.022 C ATOM 17 C LIG 1 -5.819 -0.323 0.837 0.00 0.00 +0.029 C ATOM 18 C LIG 1 -5.499 -0.804 -0.592 0.00 0.00 +0.022 C ATOM 19 C LIG 1 -6.410 -1.959 -1.018 0.00 0.00 +0.084 C ENDBRANCH 11 17 BRANCH 11 20 ATOM 20 O LIG 1 -5.359 1.223 2.655 0.00 0.00 -0.382 OA ATOM 21 H LIG 1 -6.124 1.816 2.571 0.00 0.00 +0.211 HD ENDBRANCH 11 20 ENDBRANCH 1 11 BRANCH 7 22 ATOM 22 N LIG 1 1.540 0.290 -1.886 0.00 0.00 -0.297 N ATOM 23 H LIG 1 1.027 0.024 -2.724 0.00 0.00 +0.154 HD BRANCH 22 24 ATOM 24 C LIG 1 2.930 0.102 -2.072 0.00 0.00 +0.070 A ATOM 25 C LIG 1 3.417 -0.139 -3.361 0.00 0.00 +0.146 A ATOM 26 F LIG 1 2.550 -0.247 -4.381 0.00 0.00 -0.204 F ATOM 27 C LIG 1 4.774 -0.282 -3.620 0.00 0.00 +0.061 A ATOM 28 C LIG 1 5.692 -0.169 -2.570 0.00 0.00 +0.076 A ATOM 29 C LIG 1 5.252 0.098 -1.254 0.00 0.00 +0.049 A ATOM 30 C LIG 1 3.867 0.245 -1.039 0.00 0.00 +0.050 A BRANCH 29 31 ATOM 31 N LIG 1 6.183 0.226 -0.209 0.00 0.00 -0.324 N ATOM 32 C LIG 1 6.753 1.596 -0.087 0.00 0.00 +0.136 C ATOM 33 C LIG 1 7.828 1.629 1.030 0.00 0.00 +0.136 C ATOM 34 O LIG 1 7.202 1.253 2.281 0.00 0.00 -0.370 OA ATOM 35 C LIG 1 6.987 -0.170 2.109 0.00 0.00 +0.136 C ATOM 36 C LIG 1 8.324 -0.661 1.563 0.00 0.00 +0.036 C ATOM 37 C LIG 1 8.900 0.558 0.849 0.00 0.00 +0.036 C ATOM 38 C LIG 1 5.819 -0.360 1.107 0.00 0.00 +0.136 C ENDBRANCH 29 31 BRANCH 28 39 ATOM 39 C LIG 1 7.086 -0.348 -2.869 0.00 0.00 +0.101 C ATOM 40 N LIG 1 8.204 -0.480 -3.155 0.00 0.00 -0.191 NA ENDBRANCH 28 39 ENDBRANCH 22 24 ENDBRANCH 7 22 TORSDOF 7