REMARK Name = BDB064371 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.819 0.512 -0.579 0.00 0.00 -0.287 N ATOM 2 C LIG 1 0.878 0.742 -1.580 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.193 0.800 -2.770 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -0.570 0.862 -1.248 0.00 0.00 +0.079 A ATOM 5 C LIG 1 -1.420 0.263 -2.208 0.00 0.00 +0.022 A ATOM 6 C LIG 1 -2.816 0.274 -2.086 0.00 0.00 -0.026 A ATOM 7 C LIG 1 -3.373 0.916 -0.981 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.554 1.518 -0.013 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -1.140 1.500 -0.139 0.00 0.00 +0.140 A ATOM 10 O LIG 1 -0.503 2.155 0.876 0.00 0.00 -0.489 OA ATOM 11 C LIG 1 0.912 2.136 0.988 0.00 0.00 +0.248 C ATOM 12 C LIG 1 1.497 0.743 0.825 0.00 0.00 +0.149 C ENDROOT BRANCH 1 16 ATOM 13 C LIG 1 4.127 -2.944 0.844 0.00 0.00 +0.120 A ATOM 14 C LIG 1 3.498 -2.013 0.015 0.00 0.00 +0.051 A ATOM 15 C LIG 1 3.961 -0.687 -0.085 0.00 0.00 -0.020 A ATOM 16 C LIG 1 3.223 0.284 -0.993 0.00 0.00 +0.107 C ATOM 17 C LIG 1 3.978 1.610 -1.218 0.00 0.00 +0.027 C ATOM 18 C LIG 1 4.652 2.121 0.050 0.00 0.00 +0.007 C ATOM 19 C LIG 1 5.651 1.097 0.580 0.00 0.00 +0.035 C ATOM 20 C LIG 1 5.080 -0.296 0.671 0.00 0.00 -0.042 A ATOM 21 C LIG 1 5.716 -1.239 1.491 0.00 0.00 +0.007 A ATOM 22 C LIG 1 5.241 -2.551 1.581 0.00 0.00 +0.046 A BRANCH 13 24 ATOM 23 C LIG 1 4.147 -5.166 1.689 0.00 0.00 +0.277 C ATOM 24 O LIG 1 3.559 -4.188 0.841 0.00 0.00 -0.495 OA ENDBRANCH 13 24 ENDBRANCH 1 16 BRANCH 8 25 ATOM 25 C LIG 1 -3.200 2.135 1.137 0.00 0.00 +0.035 A ATOM 26 C LIG 1 -3.115 1.839 2.531 0.00 0.00 +0.173 A ATOM 27 N LIG 1 -3.898 2.679 3.243 0.00 0.00 -0.167 NA ATOM 28 N LIG 1 -4.446 3.489 2.321 0.00 0.00 -0.273 N ATOM 29 C LIG 1 -5.356 4.530 2.735 0.00 0.00 +0.172 C ATOM 30 C LIG 1 -4.082 3.191 1.044 0.00 0.00 +0.117 A BRANCH 26 31 ATOM 31 C LIG 1 -2.301 0.749 3.178 0.00 0.00 +0.437 C ATOM 32 F LIG 1 -1.033 1.149 3.480 0.00 0.00 -0.164 F ATOM 33 F LIG 1 -2.177 -0.346 2.374 0.00 0.00 -0.164 F ATOM 34 F LIG 1 -2.848 0.296 4.340 0.00 0.00 -0.164 F ENDBRANCH 26 31 ENDBRANCH 8 25 BRANCH 6 35 ATOM 35 C LIG 1 -3.691 -0.384 -3.123 0.00 0.00 +0.158 C BRANCH 35 36 ATOM 36 N LIG 1 -3.518 -1.828 -3.156 0.00 0.00 -0.330 N ATOM 37 C LIG 1 -4.062 -2.755 -2.295 0.00 0.00 +0.107 A ATOM 38 C LIG 1 -4.890 -2.416 -1.111 0.00 0.00 +0.086 C ATOM 39 N LIG 1 -3.734 -3.978 -2.666 0.00 0.00 -0.241 NA ATOM 40 C LIG 1 -2.959 -3.839 -3.785 0.00 0.00 +0.130 A ATOM 41 C LIG 1 -2.817 -2.513 -4.115 0.00 0.00 +0.107 A ENDBRANCH 35 36 ENDBRANCH 6 35 TORSDOF 6