REMARK Name = BDB048067 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.710 0.586 1.541 0.00 0.00 +0.159 C ENDROOT BRANCH 1 4 ATOM 2 N LIG 1 -1.727 0.556 1.193 0.00 0.00 -0.302 N ATOM 3 H LIG 1 -1.677 -0.424 1.458 0.00 0.00 +0.150 HD ATOM 4 C LIG 1 -0.594 1.334 1.209 0.00 0.00 +0.234 C ATOM 5 O LIG 1 -0.624 2.542 0.974 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 -3.045 1.121 0.958 0.00 0.00 +0.159 C BRANCH 6 10 ATOM 7 C LIG 1 -6.387 -0.154 2.287 0.00 0.00 +0.128 C ATOM 8 N LIG 1 -5.333 0.667 1.738 0.00 0.00 -0.317 N ATOM 9 H LIG 1 -5.338 1.646 2.007 0.00 0.00 +0.148 HD ATOM 10 C LIG 1 -4.121 0.109 1.390 0.00 0.00 +0.233 C ATOM 11 O LIG 1 -3.930 -1.106 1.339 0.00 0.00 -0.274 OA ENDBRANCH 6 10 BRANCH 6 12 ATOM 12 C LIG 1 -3.283 1.567 -0.499 0.00 0.00 +0.032 C BRANCH 12 13 ATOM 13 C LIG 1 -2.623 0.743 -1.621 0.00 0.00 +0.000 C BRANCH 13 14 ATOM 14 C LIG 1 -2.874 -0.771 -1.655 0.00 0.00 -0.018 C BRANCH 14 15 ATOM 15 C LIG 1 -4.339 -1.208 -1.756 0.00 0.00 -0.076 C BRANCH 15 16 ATOM 16 N LIG 1 -4.815 -1.543 -3.185 0.00 0.00 +0.374 N ATOM 17 C LIG 1 -6.318 -1.837 -3.111 0.00 0.00 -0.093 C ATOM 18 C LIG 1 -4.122 -2.795 -3.716 0.00 0.00 -0.093 C ATOM 19 C LIG 1 -4.604 -0.390 -4.152 0.00 0.00 -0.093 C ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 6 12 ENDBRANCH 2 6 ENDBRANCH 1 4 BRANCH 1 20 ATOM 20 N LIG 1 1.780 1.311 0.862 0.00 0.00 -0.302 N ATOM 21 H LIG 1 1.686 2.322 0.800 0.00 0.00 +0.150 HD ATOM 22 C LIG 1 2.937 0.695 0.448 0.00 0.00 +0.234 C ATOM 23 O LIG 1 3.118 -0.517 0.563 0.00 0.00 -0.274 OA BRANCH 22 24 ATOM 24 C LIG 1 3.967 1.630 -0.211 0.00 0.00 +0.156 C ATOM 25 C LIG 1 3.472 2.072 -1.584 0.00 0.00 +0.038 C BRANCH 24 26 ATOM 26 N LIG 1 5.231 0.915 -0.304 0.00 0.00 -0.300 N ATOM 27 H LIG 1 5.181 -0.097 -0.301 0.00 0.00 +0.150 HD ATOM 28 C LIG 1 6.428 1.572 -0.472 0.00 0.00 +0.245 C ATOM 29 O LIG 1 6.503 2.791 -0.587 0.00 0.00 -0.270 OA BRANCH 28 30 ATOM 30 C LIG 1 7.652 0.728 -0.542 0.00 0.00 +0.037 A ATOM 31 C LIG 1 7.731 -0.529 0.073 0.00 0.00 +0.013 A ATOM 32 C LIG 1 8.906 -1.280 -0.020 0.00 0.00 +0.001 A ATOM 33 C LIG 1 10.004 -0.779 -0.719 0.00 0.00 +0.000 A ATOM 34 C LIG 1 9.936 0.477 -1.320 0.00 0.00 +0.001 A ATOM 35 C LIG 1 8.765 1.231 -1.228 0.00 0.00 +0.013 A ENDBRANCH 28 30 ENDBRANCH 24 26 ENDBRANCH 22 24 ENDBRANCH 1 20 BRANCH 1 36 ATOM 36 C LIG 1 0.973 0.544 3.054 0.00 0.00 +0.034 C BRANCH 36 37 ATOM 37 C LIG 1 0.034 -0.362 3.875 0.00 0.00 -0.015 C ATOM 38 C LIG 1 0.140 -1.833 3.470 0.00 0.00 +0.007 C ATOM 39 C LIG 1 0.356 -0.218 5.366 0.00 0.00 +0.007 C ENDBRANCH 36 37 ENDBRANCH 1 36 TORSDOF 14