REMARK Name = BDB064837 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.426 1.027 -1.483 0.00 0.00 +0.037 A ATOM 2 C LIG 1 1.430 1.945 -1.174 0.00 0.00 +0.014 A ATOM 3 C LIG 1 2.738 1.494 -0.976 0.00 0.00 +0.012 A ATOM 4 C LIG 1 3.063 0.133 -1.107 0.00 0.00 +0.017 A ATOM 5 C LIG 1 2.044 -0.773 -1.439 0.00 0.00 +0.012 A ATOM 6 C LIG 1 0.731 -0.329 -1.632 0.00 0.00 +0.014 A ENDROOT BRANCH 1 12 ATOM 7 C LIG 1 -5.271 -0.202 1.613 0.00 0.00 +0.263 C ATOM 8 N LIG 1 -4.221 0.097 0.744 0.00 0.00 -0.293 N ATOM 9 C LIG 1 -2.909 0.381 1.329 0.00 0.00 +0.127 C ATOM 10 C LIG 1 -1.765 0.222 0.320 0.00 0.00 +0.127 C ATOM 11 N LIG 1 -1.976 1.000 -0.910 0.00 0.00 -0.295 N ATOM 12 C LIG 1 -0.952 1.519 -1.696 0.00 0.00 +0.247 C ATOM 13 O LIG 1 -1.133 2.366 -2.567 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 -3.343 1.451 -1.174 0.00 0.00 +0.127 C ATOM 15 C LIG 1 -4.397 0.455 -0.671 0.00 0.00 +0.127 C ATOM 16 O LIG 1 -5.110 -0.128 2.832 0.00 0.00 -0.268 OA BRANCH 7 19 ATOM 17 C LIG 1 -7.978 0.554 2.773 0.00 0.00 +0.149 C ATOM 18 N LIG 1 -7.778 -0.258 1.590 0.00 0.00 -0.346 N ATOM 19 C LIG 1 -6.551 -0.595 1.045 0.00 0.00 +0.104 A ATOM 20 C LIG 1 -6.829 -1.409 -0.047 0.00 0.00 +0.032 A ATOM 21 C LIG 1 -8.232 -1.510 -0.188 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -8.794 -0.785 0.835 0.00 0.00 +0.086 A ENDBRANCH 7 19 ENDBRANCH 1 12 BRANCH 4 23 ATOM 23 C LIG 1 4.450 -0.288 -0.889 0.00 0.00 +0.139 A ATOM 24 N LIG 1 4.993 -1.462 -1.355 0.00 0.00 -0.338 N ATOM 25 H LIG 1 4.508 -2.154 -1.905 0.00 0.00 +0.167 HD ATOM 26 C LIG 1 6.310 -1.526 -0.975 0.00 0.00 +0.067 A ATOM 27 C LIG 1 6.534 -0.333 -0.293 0.00 0.00 +0.102 A ATOM 28 C LIG 1 7.817 -0.088 0.229 0.00 0.00 +0.064 A ATOM 29 C LIG 1 8.825 -1.054 0.044 0.00 0.00 +0.015 A ATOM 30 C LIG 1 8.561 -2.239 -0.647 0.00 0.00 +0.003 A ATOM 31 C LIG 1 7.293 -2.500 -1.175 0.00 0.00 +0.028 A ATOM 32 N LIG 1 5.370 0.401 -0.241 0.00 0.00 -0.227 NA BRANCH 28 33 ATOM 33 C LIG 1 8.111 1.172 0.938 0.00 0.00 +0.244 C ATOM 34 O LIG 1 7.734 2.266 0.545 0.00 0.00 -0.270 OA ATOM 35 N LIG 1 8.859 1.055 2.082 0.00 0.00 -0.325 N ATOM 36 H LIG 1 8.933 1.900 2.635 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 8.941 0.171 2.564 0.00 0.00 +0.145 HD ENDBRANCH 28 33 ENDBRANCH 4 23 TORSDOF 4