REMARK Name = BDB055684 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.951 -2.974 0.619 0.00 0.00 +0.111 A ATOM 2 N LIG 1 1.176 -1.871 -0.206 0.00 0.00 -0.316 N ATOM 3 C LIG 1 2.436 -1.401 0.099 0.00 0.00 +0.135 A ATOM 4 C LIG 1 2.868 -2.217 1.108 0.00 0.00 +0.096 A ATOM 5 C LIG 1 4.130 -2.014 1.705 0.00 0.00 +0.048 A ATOM 6 C LIG 1 4.897 -1.000 1.267 0.00 0.00 +0.091 A ATOM 7 N LIG 1 4.478 -0.154 0.231 0.00 0.00 -0.309 N ATOM 8 C LIG 1 3.233 -0.317 -0.425 0.00 0.00 +0.277 A ATOM 9 O LIG 1 2.871 0.398 -1.356 0.00 0.00 -0.265 OA ATOM 10 N LIG 1 1.981 -3.181 1.427 0.00 0.00 -0.232 NA ENDROOT BRANCH 2 11 ATOM 11 C LIG 1 0.302 -1.291 -1.215 0.00 0.00 +0.120 C ATOM 12 C LIG 1 -1.094 -0.978 -0.742 0.00 0.00 -0.021 A ATOM 13 C LIG 1 -2.023 -1.296 -1.738 0.00 0.00 -0.042 A ATOM 14 C LIG 1 -3.377 -1.062 -1.555 0.00 0.00 +0.012 A ATOM 15 C LIG 1 -3.815 -0.485 -0.350 0.00 0.00 -0.017 A ATOM 16 C LIG 1 -2.864 -0.163 0.644 0.00 0.00 +0.009 A ATOM 17 C LIG 1 -1.347 -1.827 -2.966 0.00 0.00 +0.038 C ATOM 18 C LIG 1 -1.500 -0.394 0.447 0.00 0.00 +0.006 A ATOM 19 C LIG 1 0.046 -2.197 -2.436 0.00 0.00 +0.034 C BRANCH 15 20 ATOM 20 C LIG 1 -5.241 -0.197 -0.132 0.00 0.00 -0.007 A ATOM 21 C LIG 1 -5.953 0.813 -0.827 0.00 0.00 +0.028 A ATOM 22 C LIG 1 -7.331 0.965 -0.572 0.00 0.00 +0.012 A ATOM 23 C LIG 1 -7.996 0.164 0.356 0.00 0.00 +0.001 A ATOM 24 C LIG 1 -7.296 -0.814 1.048 0.00 0.00 +0.001 A ATOM 25 C LIG 1 -5.935 -0.994 0.805 0.00 0.00 +0.009 A BRANCH 21 26 ATOM 26 C LIG 1 -5.354 1.727 -1.806 0.00 0.00 +0.180 A ATOM 27 N LIG 1 -4.046 2.135 -1.848 0.00 0.00 -0.239 N ATOM 28 H LIG 1 -3.268 1.887 -1.251 0.00 0.00 +0.192 HD ATOM 29 N LIG 1 -3.851 2.991 -2.860 0.00 0.00 -0.046 NA ATOM 30 N LIG 1 -5.038 3.124 -3.429 0.00 0.00 -0.023 NA ATOM 31 N LIG 1 -5.978 2.358 -2.787 0.00 0.00 -0.108 NA ENDBRANCH 21 26 ENDBRANCH 15 20 ENDBRANCH 2 11 BRANCH 1 33 ATOM 32 C LIG 1 -0.968 -3.829 1.968 0.00 0.00 +0.012 C ATOM 33 C LIG 1 -0.266 -3.848 0.619 0.00 0.00 +0.071 C ENDBRANCH 1 33 BRANCH 7 34 ATOM 34 C LIG 1 5.345 0.943 -0.191 0.00 0.00 +0.163 C BRANCH 34 35 ATOM 35 C LIG 1 5.478 2.042 0.844 0.00 0.00 +0.014 A ATOM 36 C LIG 1 4.382 2.807 1.274 0.00 0.00 +0.135 A ATOM 37 C LIG 1 4.538 3.791 2.254 0.00 0.00 +0.046 A ATOM 38 C LIG 1 5.801 4.061 2.778 0.00 0.00 +0.004 A ATOM 39 C LIG 1 6.904 3.335 2.338 0.00 0.00 +0.001 A ATOM 40 C LIG 1 6.745 2.332 1.380 0.00 0.00 +0.009 A BRANCH 36 41 ATOM 41 O LIG 1 3.126 2.526 0.811 0.00 0.00 -0.405 OA BRANCH 41 42 ATOM 42 C LIG 1 2.689 3.485 -0.147 0.00 0.00 +0.575 C ATOM 43 F LIG 1 3.569 3.607 -1.164 0.00 0.00 -0.133 F ATOM 44 F LIG 1 2.506 4.694 0.431 0.00 0.00 -0.133 F ATOM 45 F LIG 1 1.499 3.087 -0.650 0.00 0.00 -0.133 F ENDBRANCH 41 42 ENDBRANCH 36 41 ENDBRANCH 34 35 ENDBRANCH 7 34 TORSDOF 8