REMARK Name = BDB057554 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -2.400 -0.497 0.535 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.643 0.328 1.583 0.00 0.00 +0.326 C ATOM 3 O LIG 1 -1.417 1.529 1.546 0.00 0.00 -0.249 OA BRANCH 2 4 ATOM 4 OXT LIG 1 -1.223 -0.403 2.639 0.00 0.00 -0.479 OA ATOM 5 HXT LIG 1 -0.796 0.258 3.223 0.00 0.00 +0.295 HD ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 6 ATOM 6 N LIG 1 -3.803 -0.019 0.492 0.00 0.00 -0.331 N ATOM 7 H LIG 1 -3.825 0.985 0.251 0.00 0.00 +0.147 HD BRANCH 6 8 ATOM 8 C LIG 1 -4.772 -0.717 -0.249 0.00 0.00 +0.039 A ATOM 9 C LIG 1 -5.884 -0.041 -0.804 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -6.877 -0.734 -1.516 0.00 0.00 +0.013 A ATOM 11 C LIG 1 -6.813 -2.119 -1.634 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -5.762 -2.810 -1.040 0.00 0.00 +0.002 A ATOM 13 C LIG 1 -4.762 -2.117 -0.348 0.00 0.00 +0.023 A BRANCH 9 14 ATOM 14 C LIG 1 -5.984 1.438 -0.696 0.00 0.00 +0.195 C ATOM 15 O LIG 1 -4.982 2.120 -0.903 0.00 0.00 -0.287 OA BRANCH 14 16 ATOM 16 C LIG 1 -7.265 2.101 -0.341 0.00 0.00 +0.024 A ATOM 17 C LIG 1 -8.207 1.480 0.492 0.00 0.00 +0.034 A ATOM 18 C LIG 1 -9.416 2.115 0.793 0.00 0.00 +0.025 A ATOM 19 C LIG 1 -9.620 3.422 0.342 0.00 0.00 +0.023 A ATOM 20 C LIG 1 -8.677 4.056 -0.471 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -7.501 3.394 -0.816 0.00 0.00 +0.012 A BRANCH 18 22 ATOM 22 N LIG 1 -10.301 1.544 1.713 0.00 0.00 -0.358 N ATOM 23 H LIG 1 -11.251 1.896 1.652 0.00 0.00 +0.142 HD ATOM 24 H LIG 1 -10.264 0.530 1.762 0.00 0.00 +0.142 HD ENDBRANCH 18 22 ENDBRANCH 14 16 ENDBRANCH 9 14 ENDBRANCH 6 8 ENDBRANCH 1 6 BRANCH 1 25 ATOM 25 C LIG 1 -1.711 -0.315 -0.831 0.00 0.00 +0.068 C BRANCH 25 29 ATOM 26 C LIG 1 2.167 -2.232 -0.979 0.00 0.00 +0.121 A ATOM 27 C LIG 1 2.068 -0.862 -0.743 0.00 0.00 +0.046 A ATOM 28 C LIG 1 0.814 -0.241 -0.704 0.00 0.00 +0.007 A ATOM 29 C LIG 1 -0.357 -0.983 -0.900 0.00 0.00 -0.045 A ATOM 30 C LIG 1 -0.255 -2.358 -1.135 0.00 0.00 +0.007 A ATOM 31 C LIG 1 0.998 -2.973 -1.174 0.00 0.00 +0.046 A BRANCH 26 32 ATOM 32 O LIG 1 3.318 -2.967 -1.037 0.00 0.00 -0.492 OA BRANCH 32 33 ATOM 33 C LIG 1 4.569 -2.286 -0.913 0.00 0.00 +0.235 C BRANCH 33 34 ATOM 34 C LIG 1 4.968 -2.145 0.555 0.00 0.00 +0.100 C BRANCH 34 37 ATOM 35 C LIG 1 7.994 -3.332 1.431 0.00 0.00 +0.088 C ATOM 36 C LIG 1 7.502 -1.991 1.073 0.00 0.00 +0.126 A ATOM 37 C LIG 1 6.278 -1.469 0.712 0.00 0.00 +0.086 A ATOM 38 N LIG 1 6.404 -0.117 0.485 0.00 0.00 -0.214 NA ATOM 39 C LIG 1 7.679 0.137 0.717 0.00 0.00 +0.228 A ATOM 40 O LIG 1 8.407 -0.968 1.080 0.00 0.00 -0.440 OA BRANCH 39 41 ATOM 41 C LIG 1 8.398 1.405 0.637 0.00 0.00 +0.037 A ATOM 42 C LIG 1 7.708 2.570 0.264 0.00 0.00 +0.013 A ATOM 43 C LIG 1 8.369 3.798 0.178 0.00 0.00 +0.001 A ATOM 44 C LIG 1 9.730 3.878 0.466 0.00 0.00 +0.000 A ATOM 45 C LIG 1 10.430 2.732 0.839 0.00 0.00 +0.001 A ATOM 46 C LIG 1 9.768 1.504 0.924 0.00 0.00 +0.013 A ENDBRANCH 39 41 ENDBRANCH 34 37 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 26 32 ENDBRANCH 25 29 ENDBRANCH 1 25 TORSDOF 14