REMARK Name = BDB008194 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.487 -0.739 1.632 0.00 0.00 +0.159 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 0.414 0.718 0.847 0.00 0.00 +0.234 C ATOM 3 N LIG 1 -0.281 0.075 1.855 0.00 0.00 -0.302 N ATOM 4 H LIG 1 0.307 -0.280 2.602 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 -0.027 0.899 -0.288 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 1.798 1.253 1.274 0.00 0.00 +0.156 C ATOM 7 C LIG 1 1.650 2.347 2.325 0.00 0.00 +0.038 C BRANCH 6 9 ATOM 8 C LIG 1 3.841 1.889 0.019 0.00 0.00 +0.214 C ATOM 9 N LIG 1 2.475 1.758 0.087 0.00 0.00 -0.304 N ATOM 10 H LIG 1 1.905 1.895 -0.743 0.00 0.00 +0.149 HD ATOM 11 O LIG 1 4.582 1.646 0.966 0.00 0.00 -0.276 OA BRANCH 8 12 ATOM 12 C LIG 1 4.320 2.390 -1.331 0.00 0.00 +0.095 C BRANCH 12 14 ATOM 13 C LIG 1 6.413 0.994 -1.654 0.00 0.00 +0.004 C ATOM 14 C LIG 1 5.840 2.394 -1.478 0.00 0.00 +0.006 C ENDBRANCH 12 14 ENDBRANCH 8 12 ENDBRANCH 6 9 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 15 ATOM 15 C LIG 1 -1.015 -2.165 1.241 0.00 0.00 +0.234 C ATOM 16 N LIG 1 -2.009 -3.072 0.972 0.00 0.00 -0.303 N ATOM 17 H LIG 1 -2.981 -2.786 0.895 0.00 0.00 +0.149 HD ATOM 18 O LIG 1 0.173 -2.490 1.255 0.00 0.00 -0.274 OA BRANCH 16 19 ATOM 19 C LIG 1 -1.723 -4.437 0.543 0.00 0.00 +0.156 C ATOM 20 C LIG 1 -1.391 -5.334 1.729 0.00 0.00 +0.038 C BRANCH 19 21 ATOM 21 C LIG 1 -2.966 -4.955 -0.200 0.00 0.00 +0.231 C ATOM 22 O LIG 1 -4.032 -4.342 -0.226 0.00 0.00 -0.274 OA ATOM 23 N LIG 1 -2.837 -6.157 -0.831 0.00 0.00 -0.328 N ATOM 24 H LIG 1 -3.623 -6.464 -1.391 0.00 0.00 +0.145 HD ATOM 25 H LIG 1 -1.933 -6.565 -1.030 0.00 0.00 +0.145 HD ENDBRANCH 19 21 ENDBRANCH 16 19 ENDBRANCH 1 15 BRANCH 1 26 ATOM 26 C LIG 1 -2.518 -0.153 0.656 0.00 0.00 +0.033 C BRANCH 26 27 ATOM 27 C LIG 1 -2.921 1.293 0.983 0.00 0.00 +0.023 C BRANCH 27 28 ATOM 28 C LIG 1 -3.524 2.018 -0.222 0.00 0.00 +0.115 C BRANCH 28 29 ATOM 29 N LIG 1 -2.546 2.135 -1.283 0.00 0.00 -0.356 N ATOM 30 H LIG 1 -1.580 1.948 -1.003 0.00 0.00 +0.162 HD BRANCH 29 31 ATOM 31 C LIG 1 -2.667 2.914 -2.374 0.00 0.00 +0.188 C ATOM 32 N LIG 1 -3.704 3.543 -2.786 0.00 0.00 -0.269 NA ATOM 33 H LIG 1 -4.474 3.371 -2.141 0.00 0.00 +0.190 HD BRANCH 31 34 ATOM 34 N LIG 1 -1.523 2.975 -3.080 0.00 0.00 -0.370 N ATOM 35 H LIG 1 -1.096 2.066 -3.204 0.00 0.00 +0.159 HD ATOM 36 H LIG 1 -1.706 3.416 -3.976 0.00 0.00 +0.159 HD ENDBRANCH 31 34 ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 14