REMARK Name = BDB002577 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.449 0.164 0.051 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -1.901 -0.965 -0.545 0.00 0.00 +0.025 A ATOM 3 C LIG 1 -0.514 -1.063 -0.745 0.00 0.00 +0.025 A ATOM 4 C LIG 1 0.375 -0.048 -0.360 0.00 0.00 +0.030 A ATOM 5 C LIG 1 -0.202 1.075 0.248 0.00 0.00 +0.025 A ATOM 6 C LIG 1 -1.586 1.185 0.451 0.00 0.00 +0.025 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 1.741 -0.162 -0.560 0.00 0.00 -0.327 N ATOM 8 C LIG 1 2.271 -1.023 -1.637 0.00 0.00 +0.124 C ATOM 9 C LIG 1 3.630 -0.524 -2.159 0.00 0.00 +0.127 C ATOM 10 N LIG 1 4.622 -0.347 -1.097 0.00 0.00 -0.295 N ATOM 11 C LIG 1 5.966 -0.331 -1.451 0.00 0.00 +0.247 C ATOM 12 O LIG 1 6.356 -0.382 -2.615 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 4.097 0.046 0.217 0.00 0.00 +0.127 C ATOM 14 C LIG 1 2.703 0.701 0.142 0.00 0.00 +0.124 C BRANCH 11 15 ATOM 15 C LIG 1 6.988 -0.245 -0.382 0.00 0.00 +0.037 A ATOM 16 C LIG 1 7.976 0.741 -0.473 0.00 0.00 +0.013 A ATOM 17 C LIG 1 8.957 0.830 0.514 0.00 0.00 +0.001 A ATOM 18 C LIG 1 8.960 -0.073 1.579 0.00 0.00 +0.000 A ATOM 19 C LIG 1 7.989 -1.073 1.656 0.00 0.00 +0.001 A ATOM 20 C LIG 1 7.005 -1.166 0.671 0.00 0.00 +0.013 A ENDBRANCH 11 15 ENDBRANCH 4 7 BRANCH 1 23 ATOM 21 O LIG 1 -4.775 -1.520 -0.748 0.00 0.00 -0.270 OA ATOM 22 C LIG 1 -4.859 -0.497 -0.081 0.00 0.00 +0.248 C ATOM 23 N LIG 1 -3.827 0.344 0.293 0.00 0.00 -0.281 N ATOM 24 H LIG 1 -4.081 1.220 0.730 0.00 0.00 +0.155 HD BRANCH 22 25 ATOM 25 C LIG 1 -6.212 -0.056 0.361 0.00 0.00 +0.041 A ATOM 26 C LIG 1 -7.294 -0.269 -0.504 0.00 0.00 +0.062 A ATOM 27 C LIG 1 -8.540 0.142 -0.082 0.00 0.00 +0.167 A ATOM 28 O LIG 1 -9.696 0.027 -0.788 0.00 0.00 -0.453 OA ATOM 29 C LIG 1 -10.642 0.599 0.140 0.00 0.00 +0.466 C ATOM 30 O LIG 1 -10.035 1.057 1.367 0.00 0.00 -0.453 OA ATOM 31 C LIG 1 -8.734 0.730 1.147 0.00 0.00 +0.166 A ATOM 32 C LIG 1 -7.693 0.937 2.028 0.00 0.00 +0.050 A ATOM 33 C LIG 1 -6.414 0.533 1.631 0.00 0.00 +0.017 A ENDBRANCH 22 25 ENDBRANCH 1 23 TORSDOF 4