REMARK Name = BDB064466 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.986 -1.226 2.025 0.00 0.00 +0.279 C ATOM 2 C LIG 1 -1.953 0.060 2.891 0.00 0.00 +0.260 C ATOM 3 O LIG 1 -2.219 0.056 4.097 0.00 0.00 -0.271 OA ATOM 4 N LIG 1 -1.644 1.255 2.299 0.00 0.00 -0.282 N ATOM 5 H LIG 1 -1.417 1.977 2.971 0.00 0.00 +0.155 HD ATOM 6 C LIG 1 -1.527 1.528 0.933 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -2.167 0.798 -0.080 0.00 0.00 +0.022 A ATOM 8 C LIG 1 -1.903 1.113 -1.426 0.00 0.00 +0.012 A ATOM 9 C LIG 1 -1.073 2.184 -1.758 0.00 0.00 +0.001 A ATOM 10 C LIG 1 -0.505 2.955 -0.751 0.00 0.00 +0.002 A ATOM 11 C LIG 1 -3.204 -0.246 0.206 0.00 0.00 +0.077 C ATOM 12 C LIG 1 -0.734 2.631 0.587 0.00 0.00 +0.024 A ATOM 13 N LIG 1 -3.118 -1.166 1.107 0.00 0.00 -0.251 NA ENDROOT BRANCH 11 14 ATOM 14 C LIG 1 -4.455 -0.243 -0.621 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -5.014 -1.464 -1.016 0.00 0.00 +0.010 A ATOM 16 C LIG 1 -6.181 -1.484 -1.782 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -6.798 -0.287 -2.144 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -6.256 0.932 -1.734 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -5.089 0.957 -0.968 0.00 0.00 +0.010 A ENDBRANCH 11 14 BRANCH 1 21 ATOM 20 C LIG 1 0.370 -1.854 1.891 0.00 0.00 +0.246 C ATOM 21 N LIG 1 -0.809 -1.549 1.256 0.00 0.00 -0.282 N ATOM 22 H LIG 1 -0.995 -1.970 0.360 0.00 0.00 +0.151 HD ATOM 23 O LIG 1 0.625 -1.581 3.054 0.00 0.00 -0.270 OA BRANCH 20 25 ATOM 24 C LIG 1 2.648 -2.021 0.831 0.00 0.00 -0.021 A ATOM 25 C LIG 1 1.367 -2.556 1.049 0.00 0.00 +0.041 A ATOM 26 C LIG 1 1.003 -3.796 0.500 0.00 0.00 +0.013 A ATOM 27 C LIG 1 1.915 -4.514 -0.271 0.00 0.00 +0.001 A ATOM 28 C LIG 1 3.192 -4.003 -0.489 0.00 0.00 +0.000 A ATOM 29 C LIG 1 3.557 -2.772 0.062 0.00 0.00 +0.005 A BRANCH 24 30 ATOM 30 C LIG 1 3.087 -0.687 1.405 0.00 0.00 +0.120 C BRANCH 30 36 ATOM 31 C LIG 1 4.275 1.671 -2.308 0.00 0.00 +0.039 C ATOM 32 C LIG 1 3.051 1.873 -1.418 0.00 0.00 +0.129 C ATOM 33 O LIG 1 3.271 3.023 -0.583 0.00 0.00 -0.374 OA ATOM 34 C LIG 1 3.437 2.704 0.804 0.00 0.00 +0.175 C ATOM 35 C LIG 1 4.251 1.421 1.031 0.00 0.00 +0.113 C ATOM 36 N LIG 1 3.669 0.220 0.393 0.00 0.00 -0.294 NA ATOM 37 C LIG 1 2.665 0.605 -0.623 0.00 0.00 +0.116 C ENDBRANCH 30 36 ENDBRANCH 24 30 ENDBRANCH 20 25 ENDBRANCH 1 21 TORSDOF 5