REMARK Name = BDB027710 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.381 -0.319 -0.730 0.00 0.00 +0.131 A ATOM 2 C LIG 1 -0.063 -0.874 -1.983 0.00 0.00 +0.043 A ATOM 3 C LIG 1 1.296 -1.077 -2.226 0.00 0.00 +0.095 A ATOM 4 C LIG 1 1.621 -1.614 -3.463 0.00 0.00 +0.139 A ATOM 5 N LIG 1 0.745 -1.962 -4.441 0.00 0.00 -0.261 NA ATOM 6 C LIG 1 -0.556 -1.768 -4.169 0.00 0.00 +0.111 A ATOM 7 N LIG 1 2.250 -0.782 -1.333 0.00 0.00 -0.226 NA ATOM 8 C LIG 1 1.850 -0.279 -0.156 0.00 0.00 +0.162 A ATOM 9 C LIG 1 -1.006 -1.236 -2.975 0.00 0.00 +0.033 A ATOM 10 N LIG 1 0.570 -0.043 0.174 0.00 0.00 -0.212 NA ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 2.889 0.041 0.841 0.00 0.00 +0.022 A ATOM 12 C LIG 1 4.248 -0.204 0.592 0.00 0.00 +0.031 A ATOM 13 C LIG 1 5.189 0.114 1.558 0.00 0.00 +0.111 A ATOM 14 N LIG 1 4.883 0.657 2.753 0.00 0.00 -0.263 NA ATOM 15 C LIG 1 3.577 0.892 2.989 0.00 0.00 +0.111 A ATOM 16 C LIG 1 2.567 0.607 2.084 0.00 0.00 +0.031 A ENDBRANCH 8 11 BRANCH 1 17 ATOM 17 N LIG 1 -1.728 -0.077 -0.420 0.00 0.00 -0.322 N ATOM 18 H LIG 1 -2.119 0.515 -1.154 0.00 0.00 +0.148 HD BRANCH 17 20 ATOM 19 C LIG 1 -1.642 1.920 1.069 0.00 0.00 +0.032 C ATOM 20 C LIG 1 -2.164 0.484 0.881 0.00 0.00 +0.040 C ATOM 21 C LIG 1 -1.770 -0.413 2.063 0.00 0.00 +0.032 C BRANCH 20 22 ATOM 22 C LIG 1 -3.736 0.526 0.838 0.00 0.00 +0.102 C BRANCH 22 23 ATOM 23 N LIG 1 -4.280 1.138 -0.390 0.00 0.00 -0.328 NA ATOM 24 H LIG 1 -4.227 0.440 -1.133 0.00 0.00 +0.118 HD ATOM 25 H LIG 1 -5.279 1.297 -0.253 0.00 0.00 +0.118 HD ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 17 20 ENDBRANCH 1 17 TORSDOF 5