REMARK Name = BDB065425 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.044 4.486 -2.355 0.00 0.00 +0.045 C ATOM 2 C LIG 1 0.463 3.381 -1.465 0.00 0.00 -0.029 A ATOM 3 C LIG 1 -0.212 2.141 -1.362 0.00 0.00 +0.036 A ATOM 4 C LIG 1 0.313 1.179 -0.487 0.00 0.00 +0.036 A ATOM 5 C LIG 1 1.477 1.415 0.254 0.00 0.00 +0.039 A ATOM 6 C LIG 1 2.133 2.641 0.148 0.00 0.00 +0.013 A ATOM 7 C LIG 1 1.629 3.615 -0.712 0.00 0.00 +0.006 A ENDROOT BRANCH 5 8 ATOM 8 C LIG 1 1.969 0.346 1.167 0.00 0.00 +0.248 C ATOM 9 N LIG 1 3.344 0.195 1.186 0.00 0.00 -0.281 N ATOM 10 H LIG 1 3.870 0.742 0.516 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 1.146 -0.316 1.788 0.00 0.00 -0.270 OA BRANCH 9 12 ATOM 12 C LIG 1 4.096 -0.703 1.972 0.00 0.00 +0.034 A ATOM 13 C LIG 1 5.481 -0.733 1.761 0.00 0.00 +0.035 A ATOM 14 C LIG 1 6.313 -1.589 2.506 0.00 0.00 +0.057 A ATOM 15 C LIG 1 5.734 -2.432 3.463 0.00 0.00 +0.012 A ATOM 16 C LIG 1 4.358 -2.405 3.680 0.00 0.00 +0.002 A ATOM 17 C LIG 1 3.544 -1.543 2.940 0.00 0.00 +0.023 A BRANCH 14 18 ATOM 18 C LIG 1 7.797 -1.623 2.247 0.00 0.00 +0.417 C ATOM 19 F LIG 1 8.527 -1.999 3.334 0.00 0.00 -0.166 F ATOM 20 F LIG 1 8.130 -2.491 1.252 0.00 0.00 -0.166 F ATOM 21 F LIG 1 8.296 -0.412 1.867 0.00 0.00 -0.166 F ENDBRANCH 14 18 ENDBRANCH 9 12 ENDBRANCH 5 8 BRANCH 3 22 ATOM 22 N LIG 1 -1.410 1.929 -2.076 0.00 0.00 -0.299 N ATOM 23 H LIG 1 -1.551 2.553 -2.856 0.00 0.00 +0.154 HD BRANCH 22 24 ATOM 24 C LIG 1 -2.443 0.992 -1.912 0.00 0.00 +0.138 A ATOM 25 C LIG 1 -3.500 0.895 -2.826 0.00 0.00 +0.079 A ATOM 26 C LIG 1 -3.907 1.505 -4.032 0.00 0.00 +0.148 A ATOM 27 N LIG 1 -5.054 1.008 -4.508 0.00 0.00 -0.177 NA ATOM 28 N LIG 1 -5.384 0.065 -3.595 0.00 0.00 -0.249 N ATOM 29 C LIG 1 -6.590 -0.704 -3.775 0.00 0.00 +0.174 C ATOM 30 C LIG 1 -4.485 -0.041 -2.569 0.00 0.00 +0.164 A ATOM 31 N LIG 1 -4.542 -0.878 -1.522 0.00 0.00 -0.208 NA ATOM 32 C LIG 1 -3.499 -0.724 -0.685 0.00 0.00 +0.166 A ATOM 33 N LIG 1 -2.485 0.159 -0.841 0.00 0.00 -0.212 NA BRANCH 32 34 ATOM 34 C LIG 1 -3.451 -1.592 0.503 0.00 0.00 +0.037 A ATOM 35 C LIG 1 -4.430 -2.555 0.754 0.00 0.00 +0.122 A ATOM 36 N LIG 1 -4.452 -3.395 1.823 0.00 0.00 -0.263 NA ATOM 37 C LIG 1 -3.438 -3.276 2.704 0.00 0.00 +0.111 A ATOM 38 C LIG 1 -2.412 -2.361 2.567 0.00 0.00 +0.020 A ATOM 39 C LIG 1 -2.424 -1.515 1.459 0.00 0.00 +0.014 A ENDBRANCH 32 34 ENDBRANCH 22 24 ENDBRANCH 3 22 TORSDOF 6