REMARK Name = BDB052743 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.179 -0.987 -0.794 0.00 0.00 +0.035 A ATOM 2 C LIG 1 0.320 0.018 -1.269 0.00 0.00 +0.033 A ATOM 3 C LIG 1 -1.008 -0.270 -1.624 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -1.479 -1.579 -1.476 0.00 0.00 +0.010 A ATOM 5 C LIG 1 -0.631 -2.586 -1.016 0.00 0.00 +0.002 A ATOM 6 C LIG 1 0.693 -2.291 -0.684 0.00 0.00 +0.023 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.921 0.777 -2.132 0.00 0.00 +0.090 A ATOM 8 N LIG 1 -3.152 0.905 -1.506 0.00 0.00 -0.227 NA ATOM 9 C LIG 1 -4.023 1.793 -1.924 0.00 0.00 +0.167 A ATOM 10 C LIG 1 -3.662 2.622 -3.067 0.00 0.00 +0.178 A ATOM 11 N LIG 1 -2.445 2.458 -3.664 0.00 0.00 -0.302 N ATOM 12 C LIG 1 -2.389 3.346 -4.704 0.00 0.00 +0.112 A ATOM 13 C LIG 1 -3.597 4.012 -4.672 0.00 0.00 +0.131 A ATOM 14 N LIG 1 -4.392 3.555 -3.647 0.00 0.00 -0.233 NA ATOM 15 C LIG 1 -1.553 1.521 -3.194 0.00 0.00 +0.121 A BRANCH 9 16 ATOM 16 N LIG 1 -5.270 1.980 -1.360 0.00 0.00 -0.296 N ATOM 17 H LIG 1 -5.824 2.693 -1.829 0.00 0.00 +0.154 HD BRANCH 16 18 ATOM 18 C LIG 1 -5.808 1.511 -0.151 0.00 0.00 +0.033 A ATOM 19 C LIG 1 -5.098 0.762 0.793 0.00 0.00 +0.027 A ATOM 20 C LIG 1 -5.703 0.307 1.976 0.00 0.00 +0.047 A ATOM 21 C LIG 1 -7.043 0.584 2.233 0.00 0.00 +0.120 A ATOM 22 C LIG 1 -7.773 1.302 1.287 0.00 0.00 +0.047 A ATOM 23 C LIG 1 -7.164 1.759 0.112 0.00 0.00 +0.027 A BRANCH 21 24 ATOM 24 O LIG 1 -7.746 0.214 3.346 0.00 0.00 -0.495 OA ATOM 25 C LIG 1 -7.016 -0.434 4.381 0.00 0.00 +0.277 C ENDBRANCH 21 24 ENDBRANCH 16 18 ENDBRANCH 9 16 ENDBRANCH 3 7 BRANCH 1 29 ATOM 26 N LIG 1 4.679 -0.668 0.183 0.00 0.00 -0.269 N ATOM 27 H LIG 1 4.764 0.101 -0.462 0.00 0.00 +0.156 HD ATOM 28 C LIG 1 3.491 -1.391 0.106 0.00 0.00 +0.308 C ATOM 29 N LIG 1 2.498 -0.606 -0.467 0.00 0.00 -0.269 N ATOM 30 H LIG 1 2.703 0.379 -0.530 0.00 0.00 +0.156 HD ATOM 31 O LIG 1 3.343 -2.543 0.488 0.00 0.00 -0.252 OA BRANCH 26 35 ATOM 32 C LIG 1 8.384 -1.885 1.831 0.00 0.00 +0.120 A ATOM 33 C LIG 1 8.297 -0.794 0.968 0.00 0.00 +0.047 A ATOM 34 C LIG 1 7.057 -0.414 0.437 0.00 0.00 +0.027 A ATOM 35 C LIG 1 5.891 -1.124 0.752 0.00 0.00 +0.035 A ATOM 36 C LIG 1 5.983 -2.205 1.628 0.00 0.00 +0.027 A ATOM 37 C LIG 1 7.221 -2.583 2.159 0.00 0.00 +0.047 A BRANCH 32 39 ATOM 38 C LIG 1 10.741 -1.699 2.090 0.00 0.00 +0.277 C ATOM 39 O LIG 1 9.525 -2.360 2.415 0.00 0.00 -0.495 OA ENDBRANCH 32 39 ENDBRANCH 26 35 ENDBRANCH 1 29 TORSDOF 7