REMARK Name = BDB037355 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.003 1.433 -2.515 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -0.897 0.947 -1.558 0.00 0.00 +0.137 A ATOM 3 C LIG 1 -0.925 -0.342 -1.066 0.00 0.00 +0.044 A ATOM 4 C LIG 1 -2.222 -0.478 -0.498 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.874 0.681 -0.534 0.00 0.00 -0.149 NA ATOM 6 C LIG 1 0.162 -1.306 -1.370 0.00 0.00 +0.085 C ATOM 7 C LIG 1 1.407 -0.611 -1.967 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -1.944 1.592 -0.913 0.00 0.00 -0.216 N ATOM 9 C LIG 1 1.090 0.614 -2.860 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.863 0.893 -3.788 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.437 -2.194 -0.162 0.00 0.00 -0.037 A ATOM 12 C LIG 1 0.460 -1.710 1.162 0.00 0.00 +0.007 A ATOM 13 C LIG 1 0.739 -2.560 2.235 0.00 0.00 +0.038 A ATOM 14 C LIG 1 1.007 -3.900 1.995 0.00 0.00 +0.123 A ATOM 15 F LIG 1 1.275 -4.716 3.023 0.00 0.00 -0.205 F ATOM 16 C LIG 1 1.000 -4.407 0.701 0.00 0.00 +0.038 A ATOM 17 C LIG 1 0.720 -3.558 -0.374 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -2.070 2.944 -0.497 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -3.330 3.441 -0.138 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -3.461 4.757 0.308 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -2.337 5.575 0.416 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -1.077 5.076 0.088 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -0.939 3.761 -0.360 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 4 24 ATOM 24 N LIG 1 -2.752 -1.664 -0.023 0.00 0.00 -0.267 N ATOM 25 H LIG 1 -2.120 -2.448 -0.030 0.00 0.00 +0.156 HD ATOM 26 C LIG 1 -4.035 -1.827 0.481 0.00 0.00 +0.238 C ATOM 27 O LIG 1 -4.877 -0.941 0.578 0.00 0.00 -0.274 OA BRANCH 26 28 ATOM 28 C LIG 1 -4.341 -3.272 0.926 0.00 0.00 +0.128 C ATOM 29 C LIG 1 -4.155 -4.242 -0.253 0.00 0.00 +0.036 C ATOM 30 C LIG 1 -3.417 -3.673 2.087 0.00 0.00 +0.036 C BRANCH 28 31 ATOM 31 C LIG 1 -5.745 -3.375 1.388 0.00 0.00 +0.078 C ATOM 32 N LIG 1 -6.833 -3.552 1.755 0.00 0.00 -0.196 NA ENDBRANCH 28 31 ENDBRANCH 26 28 ENDBRANCH 4 24 BRANCH 7 33 ATOM 33 N LIG 1 2.546 -0.291 -1.101 0.00 0.00 -0.299 N ATOM 34 H LIG 1 3.416 -0.768 -1.301 0.00 0.00 +0.150 HD ATOM 35 C LIG 1 2.529 0.641 -0.091 0.00 0.00 +0.245 C ATOM 36 O LIG 1 1.528 1.228 0.287 0.00 0.00 -0.270 OA BRANCH 35 37 ATOM 37 C LIG 1 3.840 0.900 0.557 0.00 0.00 +0.037 A ATOM 38 C LIG 1 3.884 1.137 1.936 0.00 0.00 +0.025 A ATOM 39 C LIG 1 5.117 1.347 2.579 0.00 0.00 +0.056 A ATOM 40 C LIG 1 6.298 1.323 1.815 0.00 0.00 +0.012 A ATOM 41 C LIG 1 6.251 1.121 0.435 0.00 0.00 +0.001 A ATOM 42 C LIG 1 5.023 0.917 -0.197 0.00 0.00 +0.013 A BRANCH 39 43 ATOM 43 C LIG 1 5.170 1.556 4.074 0.00 0.00 +0.417 C ATOM 44 F LIG 1 6.374 2.020 4.509 0.00 0.00 -0.166 F ATOM 45 F LIG 1 4.246 2.449 4.519 0.00 0.00 -0.166 F ATOM 46 F LIG 1 4.946 0.405 4.766 0.00 0.00 -0.166 F ENDBRANCH 39 43 ENDBRANCH 35 37 ENDBRANCH 7 33 BRANCH 1 48 ATOM 47 C LIG 1 -0.947 2.158 -4.690 0.00 0.00 +0.025 C ATOM 48 C LIG 1 -0.272 2.578 -3.388 0.00 0.00 +0.112 C ENDBRANCH 1 48 TORSDOF 9