REMARK Name = BDB027668 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.398 0.957 0.535 0.00 0.00 +0.131 A ATOM 2 C LIG 1 0.115 2.251 0.722 0.00 0.00 +0.043 A ATOM 3 C LIG 1 1.467 2.410 0.413 0.00 0.00 +0.095 A ATOM 4 C LIG 1 1.983 3.686 0.582 0.00 0.00 +0.139 A ATOM 5 N LIG 1 1.300 4.776 1.022 0.00 0.00 -0.261 NA ATOM 6 C LIG 1 0.006 4.583 1.328 0.00 0.00 +0.111 A ATOM 7 N LIG 1 2.243 1.405 -0.019 0.00 0.00 -0.226 NA ATOM 8 C LIG 1 1.671 0.197 -0.135 0.00 0.00 +0.162 A ATOM 9 C LIG 1 -0.625 3.360 1.198 0.00 0.00 +0.033 A ATOM 10 N LIG 1 0.380 -0.060 0.131 0.00 0.00 -0.212 NA ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 2.511 -0.923 -0.597 0.00 0.00 +0.022 A ATOM 12 C LIG 1 3.868 -0.746 -0.907 0.00 0.00 +0.031 A ATOM 13 C LIG 1 4.617 -1.830 -1.339 0.00 0.00 +0.111 A ATOM 14 N LIG 1 4.120 -3.074 -1.485 0.00 0.00 -0.263 NA ATOM 15 C LIG 1 2.817 -3.241 -1.184 0.00 0.00 +0.111 A ATOM 16 C LIG 1 1.990 -2.218 -0.746 0.00 0.00 +0.031 A ENDBRANCH 8 11 BRANCH 1 17 ATOM 17 N LIG 1 -1.757 0.706 0.812 0.00 0.00 -0.326 N ATOM 18 H LIG 1 -2.336 1.378 0.315 0.00 0.00 +0.148 HD BRANCH 17 19 ATOM 19 C LIG 1 -2.241 -0.670 0.633 0.00 0.00 +0.068 C ATOM 20 C LIG 1 -3.489 -0.824 1.509 0.00 0.00 +0.028 C BRANCH 19 22 ATOM 21 C LIG 1 -2.914 -2.389 -1.137 0.00 0.00 +0.005 C ATOM 22 C LIG 1 -2.556 -0.937 -0.851 0.00 0.00 +0.018 C ENDBRANCH 19 22 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 4