REMARK Name = BDB060434 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.756 1.549 1.412 0.00 0.00 -0.281 N ATOM 2 H LIG 1 -1.333 2.088 2.049 0.00 0.00 +0.155 HD ATOM 3 C LIG 1 0.581 1.715 1.686 0.00 0.00 +0.248 C ATOM 4 O LIG 1 0.929 2.238 2.744 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 14 ATOM 5 C LIG 1 -6.354 2.030 2.279 0.00 0.00 +0.129 C ATOM 6 N LIG 1 -5.488 1.327 1.367 0.00 0.00 -0.302 N ATOM 7 H LIG 1 -5.036 0.495 1.721 0.00 0.00 +0.150 HD ATOM 8 C LIG 1 -5.820 1.237 0.035 0.00 0.00 +0.306 C ATOM 9 N LIG 1 -4.995 0.405 -0.724 0.00 0.00 -0.255 N ATOM 10 C LIG 1 -3.600 0.143 -0.507 0.00 0.00 +0.043 A ATOM 11 C LIG 1 -2.977 -0.915 -1.197 0.00 0.00 -0.026 A ATOM 12 C LIG 1 -1.615 -1.181 -0.983 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -0.859 -0.398 -0.111 0.00 0.00 +0.024 A ATOM 14 C LIG 1 -1.440 0.693 0.527 0.00 0.00 +0.035 A ATOM 15 C LIG 1 -3.712 -1.758 -2.209 0.00 0.00 +0.038 C ATOM 16 C LIG 1 -5.219 -1.610 -2.104 0.00 0.00 +0.024 C ATOM 17 C LIG 1 -2.807 0.944 0.332 0.00 0.00 +0.047 A ATOM 18 C LIG 1 -5.575 -0.143 -1.950 0.00 0.00 +0.115 C ATOM 19 O LIG 1 -6.824 1.784 -0.417 0.00 0.00 -0.252 OA ENDBRANCH 1 14 BRANCH 3 20 ATOM 20 C LIG 1 1.627 1.366 0.702 0.00 0.00 +0.038 A ATOM 21 C LIG 1 2.777 0.704 1.155 0.00 0.00 +0.023 A ATOM 22 C LIG 1 3.808 0.382 0.263 0.00 0.00 +0.003 A ATOM 23 C LIG 1 3.665 0.749 -1.086 0.00 0.00 +0.010 A ATOM 24 C LIG 1 2.532 1.437 -1.533 0.00 0.00 +0.001 A ATOM 25 C LIG 1 1.515 1.757 -0.636 0.00 0.00 +0.013 A BRANCH 22 26 ATOM 26 C LIG 1 5.013 -0.320 0.718 0.00 0.00 +0.093 A ATOM 27 N LIG 1 5.865 -0.884 -0.154 0.00 0.00 -0.164 NA ATOM 28 N LIG 1 6.849 -1.437 0.603 0.00 0.00 -0.207 N ATOM 29 C LIG 1 7.927 -2.122 0.016 0.00 0.00 +0.244 C ATOM 30 O LIG 1 8.797 -2.613 0.727 0.00 0.00 -0.271 OA ATOM 31 C LIG 1 7.896 -2.183 -1.481 0.00 0.00 +0.114 C ATOM 32 C LIG 1 6.631 -1.229 1.945 0.00 0.00 +0.118 A ATOM 33 C LIG 1 5.464 -0.515 2.050 0.00 0.00 +0.050 A ENDBRANCH 22 26 ENDBRANCH 3 20 TORSDOF 3