REMARK Name = BDB056107 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.544 1.379 0.210 0.00 0.00 -0.328 N ATOM 2 H LIG 1 -2.257 1.482 -0.502 0.00 0.00 +0.147 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -1.827 0.445 1.198 0.00 0.00 +0.134 A ATOM 4 C LIG 1 -3.113 -0.084 1.397 0.00 0.00 +0.088 A ATOM 5 C LIG 1 -3.266 -0.955 2.463 0.00 0.00 +0.233 A ATOM 6 O LIG 1 -4.559 -1.359 2.558 0.00 0.00 -0.436 OA ATOM 7 C LIG 1 -5.264 -0.767 1.546 0.00 0.00 +0.146 A ATOM 8 N LIG 1 -2.321 -1.371 3.316 0.00 0.00 -0.200 NA ATOM 9 C LIG 1 -1.136 -0.828 3.025 0.00 0.00 +0.227 A ATOM 10 C LIG 1 -4.405 0.021 0.792 0.00 0.00 +0.041 A ATOM 11 N LIG 1 -0.842 0.032 2.033 0.00 0.00 -0.220 NA BRANCH 7 12 ATOM 12 C LIG 1 -6.686 -1.113 1.514 0.00 0.00 +0.018 A ATOM 13 C LIG 1 -7.370 -1.405 2.707 0.00 0.00 +0.011 A ATOM 14 C LIG 1 -8.729 -1.731 2.698 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -9.426 -1.774 1.494 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -8.765 -1.494 0.302 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -7.405 -1.168 0.312 0.00 0.00 +0.011 A ENDBRANCH 7 12 BRANCH 10 18 ATOM 18 C LIG 1 -4.801 0.796 -0.365 0.00 0.00 -0.014 A ATOM 19 C LIG 1 -5.542 1.972 -0.208 0.00 0.00 +0.008 A ATOM 20 C LIG 1 -5.903 2.723 -1.328 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -5.524 2.304 -2.603 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -4.784 1.133 -2.763 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -4.421 0.379 -1.647 0.00 0.00 +0.008 A ENDBRANCH 10 18 ENDBRANCH 1 3 BRANCH 1 24 ATOM 24 C LIG 1 -0.167 1.527 -0.240 0.00 0.00 +0.107 C BRANCH 24 25 ATOM 25 C LIG 1 0.262 0.358 -1.135 0.00 0.00 +0.054 C BRANCH 25 28 ATOM 26 C LIG 1 4.080 0.335 -1.318 0.00 0.00 +0.035 A ATOM 27 C LIG 1 2.766 0.167 -0.860 0.00 0.00 +0.027 A ATOM 28 C LIG 1 1.667 0.533 -1.655 0.00 0.00 -0.044 A ATOM 29 C LIG 1 1.896 1.086 -2.918 0.00 0.00 +0.004 A ATOM 30 C LIG 1 3.200 1.262 -3.378 0.00 0.00 +0.002 A ATOM 31 C LIG 1 4.287 0.890 -2.581 0.00 0.00 +0.023 A BRANCH 26 34 ATOM 32 O LIG 1 6.975 0.042 -1.836 0.00 0.00 -0.252 OA ATOM 33 C LIG 1 6.478 -0.127 -0.731 0.00 0.00 +0.308 C ATOM 34 N LIG 1 5.120 -0.051 -0.447 0.00 0.00 -0.269 N ATOM 35 H LIG 1 4.831 -0.458 0.428 0.00 0.00 +0.156 HD ATOM 36 N LIG 1 7.186 -0.423 0.427 0.00 0.00 -0.269 N ATOM 37 H LIG 1 6.690 -0.282 1.293 0.00 0.00 +0.156 HD BRANCH 36 38 ATOM 38 C LIG 1 8.565 -0.693 0.545 0.00 0.00 +0.035 A ATOM 39 C LIG 1 9.090 -0.792 1.841 0.00 0.00 +0.023 A ATOM 40 C LIG 1 10.445 -1.068 2.044 0.00 0.00 +0.002 A ATOM 41 C LIG 1 11.288 -1.254 0.952 0.00 0.00 +0.000 A ATOM 42 C LIG 1 10.775 -1.165 -0.339 0.00 0.00 +0.002 A ATOM 43 C LIG 1 9.418 -0.889 -0.542 0.00 0.00 +0.023 A ENDBRANCH 36 38 ENDBRANCH 26 34 ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 8