REMARK Name = BDB060103 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.121 -0.804 -0.346 0.00 0.00 +0.170 A ATOM 2 N LIG 1 0.132 -0.875 -0.767 0.00 0.00 -0.194 NA ATOM 3 C LIG 1 0.889 0.178 -0.494 0.00 0.00 +0.223 A ATOM 4 N LIG 1 0.436 1.246 0.156 0.00 0.00 -0.181 NA ATOM 5 C LIG 1 -0.839 1.248 0.534 0.00 0.00 +0.223 A ATOM 6 N LIG 1 -1.657 0.233 0.291 0.00 0.00 -0.194 NA ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 2.190 0.184 -0.940 0.00 0.00 -0.289 N ATOM 8 C LIG 1 2.885 -1.091 -1.161 0.00 0.00 +0.102 C ATOM 9 C LIG 1 3.185 -1.750 0.213 0.00 0.00 +0.182 C ATOM 10 O LIG 1 4.016 -0.910 1.045 0.00 0.00 -0.376 OA ATOM 11 C LIG 1 3.491 0.432 1.134 0.00 0.00 +0.182 C ATOM 12 C LIG 1 4.196 -0.583 -1.796 0.00 0.00 +0.027 C ATOM 13 C LIG 1 4.395 0.825 -1.202 0.00 0.00 +0.027 C ATOM 14 C LIG 1 3.185 1.027 -0.267 0.00 0.00 +0.102 C ENDBRANCH 3 7 BRANCH 1 18 ATOM 15 C LIG 1 -3.767 -3.906 -1.341 0.00 0.00 +0.213 A ATOM 16 N LIG 1 -2.564 -4.261 -0.891 0.00 0.00 -0.213 NA ATOM 17 C LIG 1 -1.686 -3.266 -0.556 0.00 0.00 +0.122 A ATOM 18 C LIG 1 -2.008 -1.918 -0.663 0.00 0.00 +0.064 A ATOM 19 C LIG 1 -3.299 -1.689 -1.109 0.00 0.00 +0.128 A ATOM 20 N LIG 1 -4.188 -2.649 -1.445 0.00 0.00 -0.222 NA BRANCH 15 21 ATOM 21 N LIG 1 -4.650 -4.907 -1.672 0.00 0.00 -0.327 N ATOM 22 H LIG 1 -4.425 -5.760 -1.180 0.00 0.00 +0.145 HD ATOM 23 H LIG 1 -5.599 -4.568 -1.610 0.00 0.00 +0.145 HD ENDBRANCH 15 21 BRANCH 17 24 ATOM 24 C LIG 1 -0.354 -3.728 -0.009 0.00 0.00 +0.390 C ATOM 25 F LIG 1 0.016 -3.086 1.136 0.00 0.00 -0.202 F ATOM 26 F LIG 1 0.685 -3.588 -0.881 0.00 0.00 -0.202 F ENDBRANCH 17 24 ENDBRANCH 1 18 BRANCH 5 27 ATOM 27 N LIG 1 -1.319 2.338 1.231 0.00 0.00 -0.295 N ATOM 28 C LIG 1 -2.765 2.558 1.331 0.00 0.00 +0.136 C ATOM 29 C LIG 1 -3.114 3.986 0.879 0.00 0.00 +0.179 C ATOM 30 O LIG 1 -2.446 5.014 1.627 0.00 0.00 -0.377 OA ATOM 31 C LIG 1 -1.165 4.612 2.137 0.00 0.00 +0.179 C ATOM 32 C LIG 1 -0.473 3.534 1.290 0.00 0.00 +0.136 C ENDBRANCH 5 27 TORSDOF 5