REMARK Name = BDB037312 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.962 -1.691 0.720 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -1.782 -0.658 0.225 0.00 0.00 +0.135 A ATOM 3 C LIG 1 -1.324 0.583 -0.178 0.00 0.00 +0.027 A ATOM 4 C LIG 1 -2.480 1.389 -0.313 0.00 0.00 +0.087 A ATOM 5 N LIG 1 -3.583 0.688 -0.021 0.00 0.00 -0.168 NA ATOM 6 C LIG 1 0.131 0.906 -0.291 0.00 0.00 +0.083 C ATOM 7 C LIG 1 0.912 -0.426 -0.411 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -3.170 -0.601 0.105 0.00 0.00 -0.218 N ATOM 9 C LIG 1 0.438 -1.526 0.579 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.248 -2.288 1.113 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.420 1.869 0.850 0.00 0.00 -0.037 A ATOM 12 C LIG 1 0.143 1.572 2.199 0.00 0.00 +0.007 A ATOM 13 C LIG 1 0.411 2.501 3.207 0.00 0.00 +0.038 A ATOM 14 C LIG 1 0.964 3.730 2.879 0.00 0.00 +0.123 A ATOM 15 F LIG 1 1.219 4.621 3.846 0.00 0.00 -0.205 F ATOM 16 C LIG 1 1.258 4.050 1.561 0.00 0.00 +0.038 A ATOM 17 C LIG 1 0.991 3.123 0.551 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -4.129 -1.638 -0.053 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -5.478 -1.378 0.232 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -6.435 -2.380 0.062 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -6.057 -3.634 -0.414 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -4.724 -3.884 -0.736 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -3.761 -2.886 -0.566 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 2.369 -0.342 -0.581 0.00 0.00 -0.299 N ATOM 25 H LIG 1 2.762 -1.003 -1.238 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 3.219 0.034 0.438 0.00 0.00 +0.245 C ATOM 27 O LIG 1 2.855 0.419 1.539 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 4.675 -0.106 0.153 0.00 0.00 +0.037 A ATOM 29 C LIG 1 5.191 0.028 -1.143 0.00 0.00 +0.025 A ATOM 30 C LIG 1 6.571 -0.109 -1.379 0.00 0.00 +0.056 A ATOM 31 C LIG 1 7.425 -0.359 -0.294 0.00 0.00 +0.012 A ATOM 32 C LIG 1 6.915 -0.478 0.999 0.00 0.00 +0.001 A ATOM 33 C LIG 1 5.544 -0.348 1.222 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 7.123 0.058 -2.774 0.00 0.00 +0.417 C ATOM 35 F LIG 1 8.305 -0.589 -2.968 0.00 0.00 -0.166 F ATOM 36 F LIG 1 7.349 1.363 -3.088 0.00 0.00 -0.166 F ATOM 37 F LIG 1 6.277 -0.416 -3.731 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 1 39 ATOM 38 C LIG 1 -1.120 -4.121 1.370 0.00 0.00 +0.025 C ATOM 39 C LIG 1 -1.413 -2.667 1.724 0.00 0.00 +0.112 C ENDBRANCH 1 39 BRANCH 4 40 ATOM 40 C LIG 1 -2.565 2.854 -0.651 0.00 0.00 +0.173 C BRANCH 40 41 ATOM 41 N LIG 1 -3.589 3.125 -1.708 0.00 0.00 -0.267 N ATOM 42 C LIG 1 -3.227 2.565 -3.030 0.00 0.00 +0.141 C BRANCH 41 43 ATOM 43 C LIG 1 -4.870 3.362 -1.378 0.00 0.00 +0.169 C ATOM 44 N LIG 1 -5.973 3.594 -1.115 0.00 0.00 -0.174 NA ENDBRANCH 41 43 ENDBRANCH 40 41 ENDBRANCH 4 40 TORSDOF 9