REMARK Name = BDB000056 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.660 0.044 0.505 0.00 0.00 -0.313 N ATOM 2 H LIG 1 -0.244 -0.785 0.071 0.00 0.00 +0.152 HD ENDROOT BRANCH 1 9 ATOM 3 C LIG 1 -3.578 4.240 -0.366 0.00 0.00 +0.138 C ATOM 4 N LIG 1 -4.458 3.080 -0.369 0.00 0.00 -0.274 N ATOM 5 C LIG 1 -3.902 1.768 -0.283 0.00 0.00 +0.041 A ATOM 6 C LIG 1 -4.719 0.662 -0.551 0.00 0.00 -0.025 A ATOM 7 C LIG 1 -4.184 -0.631 -0.515 0.00 0.00 +0.016 A ATOM 8 C LIG 1 -2.837 -0.841 -0.192 0.00 0.00 +0.007 A ATOM 9 C LIG 1 -1.997 0.257 0.101 0.00 0.00 +0.041 A ATOM 10 C LIG 1 -6.142 0.876 -0.977 0.00 0.00 +0.046 C ATOM 11 C LIG 1 -6.713 2.086 -0.272 0.00 0.00 +0.101 C ATOM 12 C LIG 1 -2.551 1.548 0.036 0.00 0.00 +0.047 A ATOM 13 C LIG 1 -5.832 3.297 -0.466 0.00 0.00 +0.220 C ATOM 14 O LIG 1 -6.340 4.411 -0.608 0.00 0.00 -0.275 OA BRANCH 8 15 ATOM 15 C LIG 1 -2.352 -2.206 -0.164 0.00 0.00 +0.021 A ATOM 16 C LIG 1 -1.464 -2.740 -1.073 0.00 0.00 +0.116 A ATOM 17 N LIG 1 -1.272 -4.036 -0.694 0.00 0.00 -0.274 N ATOM 18 C LIG 1 -0.404 -5.003 -1.320 0.00 0.00 +0.172 C ATOM 19 N LIG 1 -1.995 -4.393 0.385 0.00 0.00 -0.179 NA ATOM 20 C LIG 1 -2.654 -3.275 0.705 0.00 0.00 +0.143 A ENDBRANCH 8 15 ENDBRANCH 1 9 BRANCH 1 21 ATOM 21 C LIG 1 0.256 0.793 1.254 0.00 0.00 +0.044 A ATOM 22 C LIG 1 1.623 0.591 1.111 0.00 0.00 +0.071 A ATOM 23 C LIG 1 2.353 -0.365 0.277 0.00 0.00 +0.256 C ATOM 24 N LIG 1 3.687 -0.173 0.522 0.00 0.00 -0.222 N ATOM 25 C LIG 1 3.888 0.862 1.392 0.00 0.00 +0.255 C ATOM 26 O LIG 1 4.934 1.353 1.772 0.00 0.00 -0.270 OA ATOM 27 O LIG 1 1.825 -1.174 -0.465 0.00 0.00 -0.269 OA ATOM 28 C LIG 1 2.567 1.333 1.800 0.00 0.00 +0.051 A ATOM 29 C LIG 1 2.215 2.327 2.688 0.00 0.00 +0.014 A ATOM 30 C LIG 1 0.851 2.548 2.877 0.00 0.00 +0.003 A ATOM 31 C LIG 1 -0.112 1.790 2.171 0.00 0.00 +0.024 A BRANCH 24 32 ATOM 32 C LIG 1 4.733 -0.847 -0.232 0.00 0.00 +0.171 C ATOM 33 C LIG 1 5.227 0.081 -1.347 0.00 0.00 +0.240 C ATOM 34 O LIG 1 4.558 0.997 -1.820 0.00 0.00 -0.273 OA ATOM 35 N LIG 1 6.468 -0.216 -1.863 0.00 0.00 -0.255 N ATOM 36 H LIG 1 6.791 0.383 -2.612 0.00 0.00 +0.158 HD ATOM 37 C LIG 1 7.367 -1.152 -1.415 0.00 0.00 +0.219 C ATOM 38 O LIG 1 8.462 -1.286 -1.952 0.00 0.00 -0.275 OA ATOM 39 C LIG 1 6.910 -2.041 -0.281 0.00 0.00 +0.098 C ATOM 40 C LIG 1 5.909 -1.326 0.615 0.00 0.00 +0.041 C ENDBRANCH 24 32 ENDBRANCH 1 21 TORSDOF 4