REMARK Name = BDB059778 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.644 -0.807 0.453 0.00 0.00 +0.047 A ATOM 2 C LIG 1 -3.393 -0.274 0.201 0.00 0.00 +0.163 A ATOM 3 N LIG 1 -2.655 -1.300 -0.402 0.00 0.00 -0.221 N ATOM 4 C LIG 1 -1.337 -1.096 -0.795 0.00 0.00 +0.124 A ATOM 5 C LIG 1 -0.737 0.091 -0.601 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -1.611 1.119 0.052 0.00 0.00 +0.123 A ATOM 7 N LIG 1 -3.380 -2.438 -0.535 0.00 0.00 -0.173 NA ATOM 8 N LIG 1 -2.846 0.963 0.428 0.00 0.00 -0.235 NA ATOM 9 C LIG 1 -4.570 -2.132 -0.016 0.00 0.00 +0.145 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 0.643 0.374 -1.009 0.00 0.00 -0.015 A ATOM 11 C LIG 1 0.943 1.527 -1.744 0.00 0.00 +0.012 A ATOM 12 C LIG 1 2.260 1.801 -2.124 0.00 0.00 +0.046 A ATOM 13 C LIG 1 3.300 0.934 -1.782 0.00 0.00 +0.121 A ATOM 14 C LIG 1 3.010 -0.211 -1.043 0.00 0.00 +0.046 A ATOM 15 C LIG 1 1.691 -0.489 -0.661 0.00 0.00 +0.012 A BRANCH 13 16 ATOM 16 O LIG 1 4.534 1.331 -2.214 0.00 0.00 -0.491 OA BRANCH 16 17 ATOM 17 C LIG 1 5.638 0.434 -2.050 0.00 0.00 +0.244 C BRANCH 17 18 ATOM 18 C LIG 1 6.330 0.660 -0.694 0.00 0.00 +0.125 C BRANCH 18 19 ATOM 19 N LIG 1 7.357 -0.343 -0.351 0.00 0.00 -0.299 NA ATOM 20 C LIG 1 7.837 -0.155 1.033 0.00 0.00 +0.084 C ATOM 21 C LIG 1 9.318 0.220 1.169 0.00 0.00 +0.015 C ATOM 22 C LIG 1 9.712 1.272 0.141 0.00 0.00 +0.002 C ATOM 23 C LIG 1 9.381 0.815 -1.281 0.00 0.00 +0.015 C ATOM 24 C LIG 1 8.466 -0.412 -1.309 0.00 0.00 +0.084 C ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 5 10 BRANCH 1 28 ATOM 25 C LIG 1 -8.048 0.018 1.767 0.00 0.00 +0.074 A ATOM 26 S LIG 1 -7.346 1.488 2.302 0.00 0.00 -0.091 S ATOM 27 C LIG 1 -5.817 1.073 1.667 0.00 0.00 +0.054 A ATOM 28 C LIG 1 -5.811 -0.170 1.073 0.00 0.00 -0.005 A ATOM 29 C LIG 1 -7.106 -0.778 1.134 0.00 0.00 +0.029 A BRANCH 25 31 ATOM 30 O LIG 1 -10.141 0.408 2.832 0.00 0.00 -0.270 OA ATOM 31 C LIG 1 -9.461 -0.224 2.027 0.00 0.00 +0.251 C ATOM 32 N LIG 1 -10.030 -1.243 1.281 0.00 0.00 -0.302 N ATOM 33 H LIG 1 -9.530 -1.574 0.467 0.00 0.00 +0.149 HD BRANCH 32 34 ATOM 34 C LIG 1 -11.478 -1.460 1.319 0.00 0.00 +0.217 C BRANCH 34 35 ATOM 35 C LIG 1 -12.294 -0.534 0.413 0.00 0.00 +0.405 C ATOM 36 F LIG 1 -12.175 0.766 0.742 0.00 0.00 -0.169 F ATOM 37 F LIG 1 -11.892 -0.672 -0.875 0.00 0.00 -0.169 F ATOM 38 F LIG 1 -13.606 -0.858 0.460 0.00 0.00 -0.169 F ENDBRANCH 34 35 ENDBRANCH 32 34 ENDBRANCH 25 31 ENDBRANCH 1 28 TORSDOF 9