REMARK Name = BDB059810 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.329 0.483 -1.441 0.00 0.00 +0.093 A ATOM 2 N LIG 1 1.112 0.766 -1.961 0.00 0.00 -0.237 NA ATOM 3 C LIG 1 1.111 1.617 -3.039 0.00 0.00 +0.166 A ATOM 4 C LIG 1 2.275 2.201 -3.567 0.00 0.00 +0.147 A ATOM 5 N LIG 1 3.472 1.939 -2.998 0.00 0.00 -0.236 NA ATOM 6 C LIG 1 3.479 1.073 -1.953 0.00 0.00 +0.141 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 2.800 -1.014 2.009 0.00 0.00 +0.122 A ATOM 8 C LIG 1 2.767 -0.095 0.951 0.00 0.00 +0.058 A ATOM 9 C LIG 1 2.355 -0.473 -0.338 0.00 0.00 +0.040 A ATOM 10 C LIG 1 1.976 -1.806 -0.534 0.00 0.00 +0.133 A ATOM 11 F LIG 1 1.583 -2.228 -1.744 0.00 0.00 -0.205 F ATOM 12 C LIG 1 2.010 -2.732 0.506 0.00 0.00 +0.042 A ATOM 13 C LIG 1 2.424 -2.337 1.779 0.00 0.00 +0.048 A BRANCH 7 14 ATOM 14 O LIG 1 3.228 -0.487 3.192 0.00 0.00 -0.489 OA BRANCH 14 16 ATOM 15 C LIG 1 3.119 -0.348 5.559 0.00 0.00 +0.051 C ATOM 16 C LIG 1 3.235 -1.300 4.371 0.00 0.00 +0.167 C ATOM 17 C LIG 1 4.540 -2.086 4.460 0.00 0.00 +0.051 C ENDBRANCH 14 16 ENDBRANCH 7 14 ENDBRANCH 1 9 BRANCH 3 18 ATOM 18 C LIG 1 -0.237 1.865 -3.648 0.00 0.00 +0.270 C ATOM 19 N LIG 1 -1.267 1.386 -2.873 0.00 0.00 -0.277 N ATOM 20 H LIG 1 -1.017 0.957 -1.981 0.00 0.00 +0.155 HD ATOM 21 O LIG 1 -0.351 2.442 -4.723 0.00 0.00 -0.268 OA BRANCH 19 22 ATOM 22 C LIG 1 -2.643 1.337 -3.158 0.00 0.00 +0.073 A ATOM 23 C LIG 1 -3.467 0.808 -2.143 0.00 0.00 +0.054 A ATOM 24 C LIG 1 -4.832 0.670 -2.393 0.00 0.00 +0.044 A ATOM 25 C LIG 1 -5.322 1.078 -3.624 0.00 0.00 +0.112 A ATOM 26 N LIG 1 -4.559 1.608 -4.605 0.00 0.00 -0.261 NA ATOM 27 C LIG 1 -3.232 1.724 -4.353 0.00 0.00 +0.135 A BRANCH 23 28 ATOM 28 N LIG 1 -2.875 0.477 -0.901 0.00 0.00 -0.328 N ATOM 29 C LIG 1 -3.101 -0.897 -0.438 0.00 0.00 +0.119 C ATOM 30 C LIG 1 -1.976 -1.225 0.557 0.00 0.00 +0.115 C ATOM 31 C LIG 1 -1.645 -0.039 1.487 0.00 0.00 +0.018 C ATOM 32 C LIG 1 -2.771 0.994 1.521 0.00 0.00 +0.020 C ATOM 33 C LIG 1 -3.114 1.515 0.119 0.00 0.00 +0.105 C BRANCH 30 34 ATOM 34 C LIG 1 -2.327 -2.462 1.353 0.00 0.00 +0.309 C ATOM 35 O LIG 1 -3.437 -2.962 1.427 0.00 0.00 -0.251 OA BRANCH 34 36 ATOM 36 O LIG 1 -1.259 -2.989 1.998 0.00 0.00 -0.480 OA ATOM 37 H LIG 1 -0.434 -2.493 1.846 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 30 34 ENDBRANCH 23 28 ENDBRANCH 19 22 ENDBRANCH 3 18 BRANCH 4 38 ATOM 38 N LIG 1 2.288 3.115 -4.632 0.00 0.00 -0.341 N ATOM 39 H LIG 1 1.730 2.731 -5.398 0.00 0.00 +0.144 HD ATOM 40 H LIG 1 1.783 3.955 -4.359 0.00 0.00 +0.144 HD ENDBRANCH 4 38 TORSDOF 9