REMARK Name = BDB051870 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.087 -0.258 0.057 0.00 0.00 +0.049 A ATOM 2 C LIG 1 -1.775 0.099 -0.236 0.00 0.00 +0.054 A ATOM 3 C LIG 1 -0.640 -0.653 -0.809 0.00 0.00 +0.248 C ATOM 4 N LIG 1 0.424 0.221 -0.922 0.00 0.00 -0.289 N ATOM 5 C LIG 1 0.133 1.534 -0.396 0.00 0.00 +0.144 C ATOM 6 O LIG 1 -0.637 -1.830 -1.117 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 -1.301 1.405 -0.004 0.00 0.00 -0.017 A ATOM 8 C LIG 1 -2.116 2.391 0.529 0.00 0.00 +0.006 A ATOM 9 C LIG 1 -3.433 2.058 0.828 0.00 0.00 +0.001 A ATOM 10 C LIG 1 -3.909 0.757 0.594 0.00 0.00 +0.014 A ENDROOT BRANCH 1 14 ATOM 11 N LIG 1 -2.990 -2.668 -0.485 0.00 0.00 -0.325 N ATOM 12 H LIG 1 -3.474 -3.536 -0.662 0.00 0.00 +0.145 HD ATOM 13 H LIG 1 -2.007 -2.624 -0.749 0.00 0.00 +0.145 HD ATOM 14 C LIG 1 -3.735 -1.586 -0.136 0.00 0.00 +0.242 C ATOM 15 O LIG 1 -4.944 -1.721 0.028 0.00 0.00 -0.270 OA ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 1.745 -0.159 -1.381 0.00 0.00 +0.145 C BRANCH 16 17 ATOM 17 C LIG 1 2.715 -0.333 -0.249 0.00 0.00 -0.012 A ATOM 18 C LIG 1 2.623 -1.428 0.606 0.00 0.00 +0.115 A ATOM 19 N LIG 1 3.453 -1.645 1.651 0.00 0.00 -0.263 NA ATOM 20 C LIG 1 4.423 -0.730 1.858 0.00 0.00 +0.111 A ATOM 21 C LIG 1 4.600 0.394 1.069 0.00 0.00 +0.020 A ATOM 22 C LIG 1 3.731 0.594 0.001 0.00 0.00 +0.008 A ENDBRANCH 16 17 ENDBRANCH 4 16 TORSDOF 3