REMARK Name = BDB010769 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.918 0.028 -0.291 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.954 0.882 0.240 0.00 0.00 +0.128 A ATOM 3 C LIG 1 1.349 1.882 1.113 0.00 0.00 +0.184 A ATOM 4 N LIG 1 0.295 2.627 1.536 0.00 0.00 -0.212 NA ATOM 5 C LIG 1 -0.763 2.140 0.919 0.00 0.00 +0.123 A ATOM 6 N LIG 1 2.613 2.110 1.493 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 3.482 1.282 0.916 0.00 0.00 +0.202 A ATOM 8 N LIG 1 -0.412 1.071 0.108 0.00 0.00 -0.323 N ATOM 9 N LIG 1 3.195 0.282 0.058 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 4.928 1.447 1.256 0.00 0.00 +0.202 A ATOM 11 N LIG 1 5.404 2.448 2.063 0.00 0.00 -0.276 N ATOM 12 C LIG 1 4.711 3.525 2.736 0.00 0.00 +0.156 C ATOM 13 C LIG 1 6.759 2.262 2.132 0.00 0.00 +0.344 A ATOM 14 O LIG 1 7.586 2.922 2.738 0.00 0.00 -0.245 OA ATOM 15 N LIG 1 7.020 1.145 1.354 0.00 0.00 -0.226 N ATOM 16 H LIG 1 7.928 0.736 1.187 0.00 0.00 +0.194 HD ATOM 17 N LIG 1 5.869 0.649 0.814 0.00 0.00 -0.148 NA ENDBRANCH 7 10 BRANCH 5 18 ATOM 18 C LIG 1 -2.206 2.818 1.131 0.00 0.00 +0.054 C ATOM 19 C LIG 1 -3.086 2.029 2.164 0.00 0.00 +0.019 C ATOM 20 C LIG 1 -3.491 3.378 2.783 0.00 0.00 +0.003 C ATOM 21 C LIG 1 -2.167 3.945 2.248 0.00 0.00 +0.019 C BRANCH 18 22 ATOM 22 C LIG 1 -2.829 3.309 -0.272 0.00 0.00 -0.034 A ATOM 23 C LIG 1 -2.131 4.227 -1.089 0.00 0.00 +0.004 A ATOM 24 C LIG 1 -2.634 4.669 -2.316 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -3.864 4.208 -2.767 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -4.588 3.312 -1.990 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -4.078 2.875 -0.763 0.00 0.00 +0.004 A ENDBRANCH 18 22 ENDBRANCH 5 18 BRANCH 1 28 ATOM 28 N LIG 1 1.629 -1.034 -1.140 0.00 0.00 -0.324 N ATOM 29 H LIG 1 0.801 -1.541 -0.857 0.00 0.00 +0.148 HD BRANCH 28 31 ATOM 30 C LIG 1 2.309 -2.583 -2.862 0.00 0.00 +0.028 C ATOM 31 C LIG 1 2.737 -1.905 -1.558 0.00 0.00 +0.072 C BRANCH 31 32 ATOM 32 C LIG 1 3.111 -2.911 -0.452 0.00 0.00 +0.009 C ATOM 33 C LIG 1 4.208 -3.965 -0.754 0.00 0.00 +0.005 C ATOM 34 C LIG 1 3.110 -5.035 -0.863 0.00 0.00 +0.001 C ATOM 35 C LIG 1 2.163 -4.089 -0.107 0.00 0.00 +0.005 C ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 1 28 BRANCH 8 36 ATOM 36 C LIG 1 -1.274 0.395 -0.847 0.00 0.00 +0.127 C BRANCH 36 37 ATOM 37 C LIG 1 -2.311 -0.571 -0.245 0.00 0.00 +0.009 C ATOM 38 C LIG 1 -1.695 -1.771 0.502 0.00 0.00 +0.005 C ATOM 39 C LIG 1 -1.684 -3.043 -0.340 0.00 0.00 +0.003 C ATOM 40 C LIG 1 -3.096 -3.470 -0.780 0.00 0.00 -0.014 C ATOM 41 C LIG 1 -3.696 -4.497 0.181 0.00 0.00 +0.007 C ATOM 42 C LIG 1 -4.048 -2.274 -0.943 0.00 0.00 +0.003 C ATOM 43 C LIG 1 -3.292 -1.015 -1.348 0.00 0.00 +0.005 C ENDBRANCH 36 37 ENDBRANCH 8 36 TORSDOF 8