REMARK Name = BDB034629 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.080 -0.390 -1.323 0.00 0.00 +0.267 C ATOM 2 N LIG 1 -0.169 -1.004 -1.622 0.00 0.00 -0.292 N ATOM 3 O LIG 1 1.246 0.829 -1.471 0.00 0.00 -0.268 OA ENDROOT BRANCH 2 4 ATOM 4 C LIG 1 -1.265 -0.047 -1.932 0.00 0.00 +0.091 C ATOM 5 C LIG 1 -1.811 0.606 -0.641 0.00 0.00 +0.037 C ATOM 6 C LIG 1 -3.332 0.796 -0.687 0.00 0.00 +0.091 C ATOM 7 C LIG 1 -3.981 -0.562 -0.977 0.00 0.00 +0.093 C ATOM 8 N LIG 1 -3.547 -1.195 -2.227 0.00 0.00 -0.313 NA ATOM 9 H LIG 1 -3.349 -2.179 -2.055 0.00 0.00 +0.122 HD ATOM 10 C LIG 1 -2.397 -0.544 -2.863 0.00 0.00 +0.103 C BRANCH 6 11 ATOM 11 C LIG 1 -3.874 1.326 0.639 0.00 0.00 +0.220 C ATOM 12 N LIG 1 -5.111 1.962 0.631 0.00 0.00 -0.294 N ATOM 13 C LIG 1 -5.634 2.495 1.904 0.00 0.00 +0.099 C ATOM 14 C LIG 1 -6.351 1.397 2.695 0.00 0.00 +0.030 C ATOM 15 C LIG 1 -6.553 3.707 1.656 0.00 0.00 +0.182 C ATOM 16 O LIG 1 -7.654 3.433 0.782 0.00 0.00 -0.376 OA ATOM 17 C LIG 1 -7.342 2.541 -0.294 0.00 0.00 +0.179 C ATOM 18 C LIG 1 -5.845 2.373 -0.573 0.00 0.00 +0.136 C ATOM 19 O LIG 1 -3.253 1.146 1.689 0.00 0.00 -0.275 OA ENDBRANCH 6 11 ENDBRANCH 2 4 BRANCH 1 21 ATOM 20 C LIG 1 3.119 -0.551 0.149 0.00 0.00 +0.059 A ATOM 21 C LIG 1 2.250 -1.163 -0.777 0.00 0.00 +0.146 A ATOM 22 N LIG 1 2.449 -2.407 -1.279 0.00 0.00 -0.248 NA ATOM 23 C LIG 1 3.519 -3.091 -0.812 0.00 0.00 +0.115 A ATOM 24 C LIG 1 4.434 -2.629 0.136 0.00 0.00 -0.024 A ATOM 25 C LIG 1 4.191 -1.330 0.612 0.00 0.00 +0.030 A BRANCH 24 26 ATOM 26 C LIG 1 5.585 -3.504 0.591 0.00 0.00 +0.021 C ATOM 27 C LIG 1 6.905 -2.916 1.024 0.00 0.00 +0.009 C ATOM 28 C LIG 1 5.997 -3.544 2.042 0.00 0.00 +0.009 C ENDBRANCH 24 26 BRANCH 20 29 ATOM 29 N LIG 1 2.873 0.744 0.686 0.00 0.00 -0.339 N ATOM 30 H LIG 1 2.279 1.272 0.029 0.00 0.00 +0.146 HD BRANCH 29 33 ATOM 31 C LIG 1 4.698 3.512 1.213 0.00 0.00 +0.121 C ATOM 32 C LIG 1 3.308 2.987 1.645 0.00 0.00 +0.054 C ATOM 33 C LIG 1 3.829 1.561 1.371 0.00 0.00 +0.075 C ATOM 34 C LIG 1 4.875 2.190 0.427 0.00 0.00 +0.054 C BRANCH 31 36 ATOM 35 C LIG 1 6.901 4.261 1.912 0.00 0.00 +0.194 C ATOM 36 O LIG 1 5.632 3.747 2.293 0.00 0.00 -0.380 OA ENDBRANCH 31 36 ENDBRANCH 29 33 ENDBRANCH 20 29 ENDBRANCH 1 21 BRANCH 2 37 ATOM 37 C LIG 1 -0.510 -2.362 -1.159 0.00 0.00 +0.111 C BRANCH 37 38 ATOM 38 C LIG 1 -0.751 -3.411 -2.268 0.00 0.00 +0.000 C ATOM 39 C LIG 1 -1.062 -4.768 -1.631 0.00 0.00 +0.009 C ATOM 40 C LIG 1 0.397 -3.558 -3.264 0.00 0.00 +0.009 C ENDBRANCH 37 38 ENDBRANCH 2 37 TORSDOF 9