REMARK Name = BDB032764 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.527 1.258 1.155 0.00 0.00 -0.010 A ATOM 2 C LIG 1 2.294 0.084 1.173 0.00 0.00 +0.020 A ATOM 3 C LIG 1 3.549 0.128 0.594 0.00 0.00 +0.042 A ATOM 4 C LIG 1 4.554 -0.935 0.490 0.00 0.00 +0.248 C ATOM 5 N LIG 1 5.628 -0.404 -0.206 0.00 0.00 -0.282 N ATOM 6 C LIG 1 5.441 1.007 -0.524 0.00 0.00 +0.144 C ATOM 7 O LIG 1 4.451 -2.048 0.968 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 4.070 1.277 0.003 0.00 0.00 -0.018 A ATOM 9 C LIG 1 3.324 2.441 -0.032 0.00 0.00 +0.006 A ATOM 10 C LIG 1 2.046 2.424 0.543 0.00 0.00 +0.007 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 6.901 -1.108 -0.332 0.00 0.00 +0.163 C ATOM 12 C LIG 1 7.713 -0.764 -1.591 0.00 0.00 +0.240 C ATOM 13 O LIG 1 7.244 -0.235 -2.597 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 9.042 -1.121 -1.560 0.00 0.00 -0.255 N ATOM 15 H LIG 1 9.573 -0.889 -2.389 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 9.790 -1.437 -0.455 0.00 0.00 +0.219 C ATOM 17 O LIG 1 11.014 -1.502 -0.519 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 9.028 -1.730 0.814 0.00 0.00 +0.098 C ATOM 19 C LIG 1 7.769 -0.884 0.908 0.00 0.00 +0.041 C ENDBRANCH 5 11 BRANCH 1 20 ATOM 20 C LIG 1 0.138 1.265 1.744 0.00 0.00 +0.269 C BRANCH 20 21 ATOM 21 O LIG 1 -0.770 0.871 0.713 0.00 0.00 -0.445 OA BRANCH 21 24 ATOM 22 N LIG 1 -2.827 0.468 0.038 0.00 0.00 -0.251 N ATOM 23 H LIG 1 -2.281 0.260 -0.787 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 -2.071 0.868 1.103 0.00 0.00 +0.405 C ATOM 25 O LIG 1 -2.446 1.180 2.222 0.00 0.00 -0.226 OA BRANCH 22 31 ATOM 26 C LIG 1 -8.783 -1.740 -0.213 0.00 0.00 +0.019 C ATOM 27 C LIG 1 -8.370 -0.359 -0.738 0.00 0.00 +0.028 C ATOM 28 C LIG 1 -6.974 -0.036 -0.318 0.00 0.00 +0.003 A ATOM 29 C LIG 1 -6.113 -0.271 -1.379 0.00 0.00 +0.126 A ATOM 30 C LIG 1 -4.746 -0.115 -1.266 0.00 0.00 +0.069 A ATOM 31 C LIG 1 -4.221 0.312 -0.040 0.00 0.00 +0.040 A ATOM 32 C LIG 1 -5.093 0.561 1.036 0.00 0.00 +0.024 A ATOM 33 O LIG 1 -6.745 -0.687 -2.522 0.00 0.00 -0.491 OA ATOM 34 C LIG 1 -6.477 0.382 0.903 0.00 0.00 +0.009 A ATOM 35 C LIG 1 -8.139 -0.386 -2.264 0.00 0.00 +0.240 C ATOM 36 C LIG 1 -9.401 0.696 -0.343 0.00 0.00 +0.019 C ENDBRANCH 22 31 ENDBRANCH 21 24 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 5