REMARK Name = BDB064630 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.738 -1.354 0.360 0.00 0.00 +0.234 C ATOM 2 N LIG 1 -0.909 -1.440 -0.740 0.00 0.00 -0.302 N ATOM 3 H LIG 1 -1.211 -2.082 -1.469 0.00 0.00 +0.150 HD ATOM 4 O LIG 1 -1.327 -1.033 1.474 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 -4.358 -0.351 1.900 0.00 0.00 +0.237 C ATOM 6 N LIG 1 -4.229 -1.506 1.107 0.00 0.00 -0.286 N ATOM 7 C LIG 1 -3.204 -1.740 0.088 0.00 0.00 +0.164 C ATOM 8 C LIG 1 -3.868 -1.232 -1.184 0.00 0.00 +0.065 C ATOM 9 C LIG 1 -5.290 -1.785 -1.017 0.00 0.00 +0.134 C ATOM 10 C LIG 1 -5.499 -1.917 0.512 0.00 0.00 +0.140 C ATOM 11 O LIG 1 -5.229 -0.336 2.787 0.00 0.00 -0.274 OA BRANCH 5 15 ATOM 12 C LIG 1 -6.310 3.440 1.196 0.00 0.00 +0.109 C ATOM 13 C LIG 1 -5.425 2.299 0.771 0.00 0.00 +0.213 C ATOM 14 N LIG 1 -4.255 2.173 1.475 0.00 0.00 -0.290 N ATOM 15 C LIG 1 -3.478 0.920 1.598 0.00 0.00 +0.163 C ATOM 16 C LIG 1 -2.782 1.605 2.789 0.00 0.00 +0.051 C ATOM 17 C LIG 1 -3.924 2.627 2.816 0.00 0.00 +0.111 C ATOM 18 O LIG 1 -5.727 1.542 -0.152 0.00 0.00 -0.276 OA ENDBRANCH 5 15 BRANCH 9 19 ATOM 19 O LIG 1 -5.331 -3.067 -1.649 0.00 0.00 -0.390 OA ATOM 20 H LIG 1 -6.235 -3.411 -1.548 0.00 0.00 +0.210 HD ENDBRANCH 9 19 ENDBRANCH 1 7 BRANCH 2 21 ATOM 21 C LIG 1 0.548 -1.367 -0.579 0.00 0.00 +0.163 C BRANCH 21 22 ATOM 22 C LIG 1 1.047 -2.821 -0.533 0.00 0.00 +0.231 C ATOM 23 O LIG 1 0.462 -3.744 -1.101 0.00 0.00 -0.274 OA ATOM 24 N LIG 1 2.218 -3.044 0.128 0.00 0.00 -0.328 N ATOM 25 H LIG 1 2.579 -3.987 0.161 0.00 0.00 +0.145 HD ATOM 26 H LIG 1 2.752 -2.304 0.568 0.00 0.00 +0.145 HD ENDBRANCH 21 22 BRANCH 21 27 ATOM 27 C LIG 1 1.181 -0.624 -1.764 0.00 0.00 +0.067 C BRANCH 27 28 ATOM 28 C LIG 1 2.619 -0.229 -1.524 0.00 0.00 -0.045 A ATOM 29 C LIG 1 3.665 -0.957 -2.100 0.00 0.00 +0.004 A ATOM 30 C LIG 1 4.995 -0.605 -1.852 0.00 0.00 +0.009 A ATOM 31 C LIG 1 5.315 0.484 -1.027 0.00 0.00 -0.018 A ATOM 32 C LIG 1 4.258 1.212 -0.459 0.00 0.00 +0.009 A ATOM 33 C LIG 1 2.927 0.861 -0.702 0.00 0.00 +0.004 A BRANCH 31 34 ATOM 34 C LIG 1 6.715 0.851 -0.762 0.00 0.00 -0.018 A ATOM 35 C LIG 1 7.190 2.143 -1.042 0.00 0.00 +0.008 A ATOM 36 C LIG 1 8.519 2.492 -0.790 0.00 0.00 +0.001 A ATOM 37 C LIG 1 9.395 1.555 -0.247 0.00 0.00 +0.000 A ATOM 38 C LIG 1 8.944 0.269 0.041 0.00 0.00 +0.001 A ATOM 39 C LIG 1 7.615 -0.080 -0.216 0.00 0.00 +0.008 A ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 21 27 ENDBRANCH 2 21 TORSDOF 8