REMARK Name = BDB064840 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.108 1.758 0.363 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -0.721 0.749 1.109 0.00 0.00 +0.014 A ATOM 3 C LIG 1 -2.077 0.474 0.911 0.00 0.00 +0.012 A ATOM 4 C LIG 1 -2.840 1.215 -0.008 0.00 0.00 +0.017 A ATOM 5 C LIG 1 -2.213 2.240 -0.732 0.00 0.00 +0.012 A ATOM 6 C LIG 1 -0.855 2.516 -0.543 0.00 0.00 +0.014 A ENDROOT BRANCH 1 12 ATOM 7 C LIG 1 4.939 -1.599 0.306 0.00 0.00 +0.265 C ATOM 8 N LIG 1 4.459 -0.554 -0.494 0.00 0.00 -0.293 N ATOM 9 C LIG 1 4.723 0.849 -0.139 0.00 0.00 +0.127 C ATOM 10 C LIG 1 3.649 1.372 0.829 0.00 0.00 +0.127 C ATOM 11 N LIG 1 2.286 1.118 0.338 0.00 0.00 -0.295 N ATOM 12 C LIG 1 1.318 2.092 0.564 0.00 0.00 +0.247 C ATOM 13 O LIG 1 1.583 3.242 0.907 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 2.024 -0.251 -0.148 0.00 0.00 +0.127 C ATOM 15 C LIG 1 3.135 -0.738 -1.092 0.00 0.00 +0.127 C ATOM 16 O LIG 1 4.262 -2.600 0.526 0.00 0.00 -0.268 OA BRANCH 7 19 ATOM 17 C LIG 1 7.573 -0.937 -1.252 0.00 0.00 +0.150 C ATOM 18 N LIG 1 7.423 -1.132 0.169 0.00 0.00 -0.330 N ATOM 19 C LIG 1 6.267 -1.452 0.845 0.00 0.00 +0.124 A ATOM 20 C LIG 1 6.693 -1.685 2.138 0.00 0.00 +0.143 A ATOM 21 N LIG 1 8.033 -1.431 2.277 0.00 0.00 -0.243 NA ATOM 22 C LIG 1 8.447 -1.108 1.074 0.00 0.00 +0.199 A ENDBRANCH 7 19 ENDBRANCH 1 12 BRANCH 4 23 ATOM 23 C LIG 1 -4.260 0.889 -0.174 0.00 0.00 +0.139 A ATOM 24 N LIG 1 -5.198 1.736 -0.716 0.00 0.00 -0.338 N ATOM 25 H LIG 1 -5.022 2.672 -1.044 0.00 0.00 +0.167 HD ATOM 26 C LIG 1 -6.420 1.112 -0.705 0.00 0.00 +0.067 A ATOM 27 C LIG 1 -6.176 -0.124 -0.112 0.00 0.00 +0.102 A ATOM 28 C LIG 1 -7.252 -1.015 0.054 0.00 0.00 +0.064 A ATOM 29 C LIG 1 -8.533 -0.626 -0.385 0.00 0.00 +0.015 A ATOM 30 C LIG 1 -8.738 0.622 -0.975 0.00 0.00 +0.003 A ATOM 31 C LIG 1 -7.681 1.523 -1.147 0.00 0.00 +0.028 A ATOM 32 N LIG 1 -4.837 -0.241 0.189 0.00 0.00 -0.227 NA BRANCH 28 33 ATOM 33 C LIG 1 -7.048 -2.327 0.699 0.00 0.00 +0.244 C ATOM 34 O LIG 1 -6.363 -2.483 1.699 0.00 0.00 -0.270 OA ATOM 35 N LIG 1 -7.689 -3.388 0.114 0.00 0.00 -0.325 N ATOM 36 H LIG 1 -8.020 -3.338 -0.839 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 -7.431 -4.299 0.473 0.00 0.00 +0.145 HD ENDBRANCH 28 33 ENDBRANCH 4 23 TORSDOF 4