REMARK Name = BDB027677 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.060 -0.895 -1.552 0.00 0.00 +0.130 A ATOM 2 C LIG 1 -1.072 -1.801 -1.910 0.00 0.00 +0.043 A ATOM 3 C LIG 1 -2.378 -1.329 -1.771 0.00 0.00 +0.095 A ATOM 4 C LIG 1 -3.385 -2.212 -2.132 0.00 0.00 +0.139 A ATOM 5 N LIG 1 -3.213 -3.479 -2.594 0.00 0.00 -0.261 NA ATOM 6 C LIG 1 -1.944 -3.907 -2.697 0.00 0.00 +0.111 A ATOM 7 N LIG 1 -2.668 -0.103 -1.314 0.00 0.00 -0.226 NA ATOM 8 C LIG 1 -1.635 0.682 -0.970 0.00 0.00 +0.162 A ATOM 9 C LIG 1 -0.855 -3.121 -2.373 0.00 0.00 +0.033 A ATOM 10 N LIG 1 -0.344 0.328 -1.076 0.00 0.00 -0.212 NA ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 -1.937 2.026 -0.442 0.00 0.00 +0.022 A ATOM 12 C LIG 1 -3.256 2.489 -0.320 0.00 0.00 +0.031 A ATOM 13 C LIG 1 -3.489 3.760 0.182 0.00 0.00 +0.111 A ATOM 14 N LIG 1 -2.513 4.604 0.571 0.00 0.00 -0.263 NA ATOM 15 C LIG 1 -1.248 4.155 0.453 0.00 0.00 +0.111 A ATOM 16 C LIG 1 -0.917 2.901 -0.037 0.00 0.00 +0.031 A ENDBRANCH 8 11 BRANCH 1 17 ATOM 17 N LIG 1 1.289 -1.290 -1.673 0.00 0.00 -0.328 N ATOM 18 H LIG 1 1.445 -1.584 -2.634 0.00 0.00 +0.147 HD BRANCH 17 19 ATOM 19 C LIG 1 2.313 -0.337 -1.244 0.00 0.00 +0.103 C BRANCH 19 20 ATOM 20 C LIG 1 2.835 -0.668 0.158 0.00 0.00 +0.019 C BRANCH 20 21 ATOM 21 C LIG 1 1.844 -0.346 1.279 0.00 0.00 +0.001 C BRANCH 21 23 ATOM 22 C LIG 1 3.542 0.249 3.092 0.00 0.00 +0.004 C ATOM 23 C LIG 1 2.389 -0.653 2.676 0.00 0.00 -0.003 C ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 6