REMARK Name = BDB010784 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.775 -1.910 -1.870 0.00 0.00 +0.120 A ATOM 2 N LIG 1 0.380 -0.658 -1.421 0.00 0.00 -0.323 N ATOM 3 C LIG 1 -0.995 -0.674 -1.299 0.00 0.00 +0.128 A ATOM 4 C LIG 1 -1.328 -2.006 -1.478 0.00 0.00 +0.184 A ATOM 5 N LIG 1 -2.567 -2.505 -1.350 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 -3.455 -1.555 -1.024 0.00 0.00 +0.203 A ATOM 7 N LIG 1 -3.239 -0.236 -0.866 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 -1.995 0.257 -1.025 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -0.246 -2.749 -1.838 0.00 0.00 -0.212 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -4.844 -2.031 -0.840 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -5.116 -3.337 -0.997 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -4.466 -4.069 -1.236 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -6.428 -3.491 -0.778 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -7.046 -4.542 -0.832 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -6.966 -2.263 -0.481 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -5.884 -1.324 -0.534 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 1 18 ATOM 17 C LIG 1 2.110 -3.375 -3.416 0.00 0.00 +0.020 C ATOM 18 C LIG 1 2.166 -2.267 -2.355 0.00 0.00 +0.082 C BRANCH 18 19 ATOM 19 C LIG 1 3.114 -2.669 -1.236 0.00 0.00 -0.037 A ATOM 20 C LIG 1 2.747 -3.621 -0.271 0.00 0.00 +0.004 A ATOM 21 C LIG 1 3.636 -3.991 0.739 0.00 0.00 +0.000 A ATOM 22 C LIG 1 4.907 -3.424 0.793 0.00 0.00 +0.000 A ATOM 23 C LIG 1 5.292 -2.491 -0.167 0.00 0.00 +0.000 A ATOM 24 C LIG 1 4.404 -2.117 -1.177 0.00 0.00 +0.004 A ENDBRANCH 18 19 ENDBRANCH 1 18 BRANCH 8 25 ATOM 25 N LIG 1 -1.756 1.618 -0.914 0.00 0.00 -0.324 N ATOM 26 H LIG 1 -1.038 1.956 -1.540 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -2.888 2.530 -0.724 0.00 0.00 +0.072 C ATOM 28 C LIG 1 -2.721 3.710 -1.689 0.00 0.00 +0.028 C BRANCH 27 29 ATOM 29 C LIG 1 -2.888 3.057 0.722 0.00 0.00 +0.009 C ATOM 30 C LIG 1 -3.182 2.042 1.866 0.00 0.00 +0.005 C ATOM 31 C LIG 1 -4.659 2.466 1.789 0.00 0.00 +0.001 C ATOM 32 C LIG 1 -4.176 3.799 1.184 0.00 0.00 +0.005 C ENDBRANCH 27 29 ENDBRANCH 25 27 ENDBRANCH 8 25 BRANCH 2 33 ATOM 33 C LIG 1 1.250 0.472 -1.129 0.00 0.00 +0.127 C BRANCH 33 34 ATOM 34 C LIG 1 1.237 0.949 0.341 0.00 0.00 +0.009 C ATOM 35 C LIG 1 1.872 2.352 0.424 0.00 0.00 +0.005 C ATOM 36 C LIG 1 2.357 2.661 1.835 0.00 0.00 +0.003 C ATOM 37 C LIG 1 3.485 1.705 2.260 0.00 0.00 -0.014 C ATOM 38 C LIG 1 3.546 1.605 3.785 0.00 0.00 +0.007 C ATOM 39 C LIG 1 3.356 0.316 1.609 0.00 0.00 +0.003 C ATOM 40 C LIG 1 1.904 -0.047 1.310 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 2 33 TORSDOF 8