REMARK Name = BDB009504 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -2.657 2.389 2.816 0.00 0.00 -0.268 OA ATOM 2 C LIG 1 -3.268 1.996 1.819 0.00 0.00 +0.265 C ATOM 3 N LIG 1 -2.609 1.747 0.613 0.00 0.00 -0.293 N ATOM 4 C LIG 1 -1.145 1.740 0.636 0.00 0.00 +0.127 C ATOM 5 C LIG 1 -0.490 1.630 -0.750 0.00 0.00 +0.127 C ATOM 6 N LIG 1 -1.097 0.586 -1.589 0.00 0.00 -0.294 N ATOM 7 C LIG 1 -0.415 -0.253 -2.463 0.00 0.00 +0.249 C ATOM 8 O LIG 1 -0.946 -1.208 -3.027 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -2.544 0.386 -1.449 0.00 0.00 +0.127 C ATOM 10 C LIG 1 -3.233 1.530 -0.699 0.00 0.00 +0.127 C ENDROOT BRANCH 2 11 ATOM 11 C LIG 1 -4.744 1.791 1.948 0.00 0.00 +0.126 A ATOM 12 N LIG 1 -5.292 0.724 1.311 0.00 0.00 -0.242 NA ATOM 13 C LIG 1 -6.607 0.502 1.474 0.00 0.00 +0.072 A ATOM 14 C LIG 1 -7.422 1.323 2.285 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -8.794 1.048 2.418 0.00 0.00 +0.010 A ATOM 16 C LIG 1 -9.362 -0.037 1.754 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -8.565 -0.848 0.954 0.00 0.00 +0.002 A ATOM 18 C LIG 1 -6.822 2.403 2.944 0.00 0.00 +0.012 A ATOM 19 C LIG 1 -7.200 -0.572 0.823 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -5.462 2.638 2.781 0.00 0.00 +0.033 A ENDBRANCH 2 11 BRANCH 7 21 ATOM 21 C LIG 1 1.021 -0.039 -2.711 0.00 0.00 +0.072 A ATOM 22 C LIG 1 1.496 1.157 -3.238 0.00 0.00 +0.135 A ATOM 23 F LIG 1 0.661 2.170 -3.513 0.00 0.00 -0.205 F ATOM 24 C LIG 1 2.853 1.321 -3.495 0.00 0.00 +0.039 A ATOM 25 C LIG 1 3.743 0.277 -3.228 0.00 0.00 +0.007 A ATOM 26 C LIG 1 3.282 -0.940 -2.700 0.00 0.00 -0.041 A ATOM 27 C LIG 1 1.907 -1.098 -2.467 0.00 0.00 +0.020 A BRANCH 26 28 ATOM 28 C LIG 1 4.233 -2.089 -2.438 0.00 0.00 +0.092 C BRANCH 28 29 ATOM 29 C LIG 1 5.434 -1.704 -1.578 0.00 0.00 +0.069 A ATOM 30 C LIG 1 5.306 -1.705 -0.086 0.00 0.00 -0.016 A ATOM 31 C LIG 1 4.005 -2.051 0.581 0.00 0.00 +0.037 C ATOM 32 C LIG 1 3.967 -1.688 2.069 0.00 0.00 +0.005 C ATOM 33 C LIG 1 5.267 -2.076 2.764 0.00 0.00 +0.005 C ATOM 34 C LIG 1 6.464 -1.377 2.117 0.00 0.00 +0.041 C ATOM 35 C LIG 1 6.409 -1.384 0.614 0.00 0.00 +0.023 A ATOM 36 C LIG 1 7.662 -1.023 -0.094 0.00 0.00 +0.268 A ATOM 37 O LIG 1 8.682 -0.711 0.512 0.00 0.00 -0.266 OA ATOM 38 N LIG 1 7.609 -1.057 -1.461 0.00 0.00 -0.243 N ATOM 39 H LIG 1 8.458 -0.822 -1.965 0.00 0.00 +0.192 HD ATOM 40 N LIG 1 6.526 -1.393 -2.211 0.00 0.00 -0.175 NA ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 7 21 TORSDOF 4