REMARK Name = BDB040709 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.900 1.146 -2.482 0.00 0.00 +0.111 C ATOM 2 C LIG 1 -2.047 0.155 -2.755 0.00 0.00 +0.129 C ATOM 3 N LIG 1 -2.809 0.875 -1.773 0.00 0.00 -0.326 N ATOM 4 C LIG 1 -1.628 1.411 -1.150 0.00 0.00 +0.129 C ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 -3.990 0.450 -1.133 0.00 0.00 +0.035 A ATOM 6 C LIG 1 -4.349 0.951 0.123 0.00 0.00 +0.062 A ATOM 7 C LIG 1 -5.525 0.530 0.745 0.00 0.00 +0.132 A ATOM 8 F LIG 1 -5.829 1.037 1.948 0.00 0.00 -0.205 F ATOM 9 C LIG 1 -6.386 -0.389 0.145 0.00 0.00 +0.035 A ATOM 10 C LIG 1 -6.027 -0.871 -1.113 0.00 0.00 +0.132 A ATOM 11 F LIG 1 -6.825 -1.743 -1.745 0.00 0.00 -0.205 F ATOM 12 C LIG 1 -4.854 -0.462 -1.748 0.00 0.00 +0.062 A BRANCH 9 13 ATOM 13 C LIG 1 -7.656 -0.854 0.820 0.00 0.00 +0.111 C ATOM 14 C LIG 1 -7.388 -1.494 2.181 0.00 0.00 +0.227 C ATOM 15 O LIG 1 -6.389 -2.166 2.428 0.00 0.00 -0.275 OA ATOM 16 N LIG 1 -8.377 -1.357 3.126 0.00 0.00 -0.256 N ATOM 17 H LIG 1 -8.201 -1.807 4.014 0.00 0.00 +0.157 HD ATOM 18 C LIG 1 -9.631 -0.823 2.965 0.00 0.00 +0.219 C ATOM 19 O LIG 1 -10.473 -0.902 3.854 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 -9.935 -0.217 1.617 0.00 0.00 +0.097 C ATOM 21 C LIG 1 -8.669 0.289 0.946 0.00 0.00 +0.027 C ENDBRANCH 9 13 ENDBRANCH 3 5 BRANCH 1 23 ATOM 22 C LIG 1 1.477 1.169 -1.752 0.00 0.00 +0.401 C ATOM 23 N LIG 1 0.439 0.542 -2.373 0.00 0.00 -0.275 N ATOM 24 H LIG 1 0.655 -0.368 -2.755 0.00 0.00 +0.152 HD ATOM 25 O LIG 1 1.422 2.267 -1.221 0.00 0.00 -0.226 OA BRANCH 22 26 ATOM 26 O LIG 1 2.578 0.381 -1.808 0.00 0.00 -0.444 OA BRANCH 26 30 ATOM 27 C LIG 1 6.152 0.759 1.071 0.00 0.00 +0.247 C ATOM 28 N LIG 1 5.045 0.366 0.349 0.00 0.00 -0.290 N ATOM 29 C LIG 1 3.746 1.033 0.365 0.00 0.00 +0.154 C ATOM 30 C LIG 1 3.749 0.947 -1.171 0.00 0.00 +0.212 C ATOM 31 C LIG 1 4.955 -0.000 -1.059 0.00 0.00 +0.154 C ATOM 32 O LIG 1 6.104 1.599 1.966 0.00 0.00 -0.270 OA BRANCH 27 37 ATOM 33 C LIG 1 11.287 -1.601 -0.203 0.00 0.00 +0.044 C ATOM 34 C LIG 1 9.955 -1.006 0.149 0.00 0.00 -0.050 A ATOM 35 C LIG 1 9.858 0.341 0.519 0.00 0.00 +0.004 A ATOM 36 C LIG 1 8.615 0.903 0.822 0.00 0.00 +0.013 A ATOM 37 C LIG 1 7.455 0.128 0.734 0.00 0.00 +0.037 A ATOM 38 C LIG 1 7.546 -1.221 0.372 0.00 0.00 +0.013 A ATOM 39 C LIG 1 8.790 -1.780 0.070 0.00 0.00 +0.004 A ENDBRANCH 27 37 ENDBRANCH 26 30 ENDBRANCH 22 26 ENDBRANCH 1 23 TORSDOF 6