REMARK Name = BDB027845 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.405 0.233 0.278 0.00 0.00 +0.074 A ATOM 2 N LIG 1 -1.475 1.558 0.543 0.00 0.00 -0.245 NA ATOM 3 C LIG 1 -0.395 2.331 0.318 0.00 0.00 +0.091 A ATOM 4 C LIG 1 0.824 1.829 -0.170 0.00 0.00 +0.024 A ATOM 5 C LIG 1 1.881 2.740 -0.405 0.00 0.00 +0.031 A ATOM 6 C LIG 1 1.698 4.085 -0.130 0.00 0.00 +0.111 A ATOM 7 N LIG 1 0.553 4.588 0.357 0.00 0.00 -0.261 NA ATOM 8 C LIG 1 0.905 0.431 -0.404 0.00 0.00 +0.039 A ATOM 9 C LIG 1 -0.451 3.696 0.559 0.00 0.00 +0.139 A ATOM 10 C LIG 1 -0.240 -0.349 -0.211 0.00 0.00 +0.052 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -3.829 -2.525 1.173 0.00 0.00 +0.111 A ATOM 12 N LIG 1 -5.039 -1.958 1.000 0.00 0.00 -0.263 NA ATOM 13 C LIG 1 -5.047 -0.669 0.604 0.00 0.00 +0.111 A ATOM 14 C LIG 1 -3.900 0.070 0.364 0.00 0.00 +0.030 A ATOM 15 C LIG 1 -2.643 -0.531 0.531 0.00 0.00 +0.003 A ATOM 16 C LIG 1 -2.627 -1.867 0.956 0.00 0.00 +0.030 A ENDBRANCH 1 15 BRANCH 8 17 ATOM 17 N LIG 1 2.096 -0.145 -0.932 0.00 0.00 -0.336 N ATOM 18 H LIG 1 2.918 0.315 -0.538 0.00 0.00 +0.147 HD BRANCH 17 19 ATOM 19 C LIG 1 2.338 -1.557 -1.132 0.00 0.00 +0.122 C ATOM 20 C LIG 1 2.825 -2.280 0.133 0.00 0.00 +0.184 C ATOM 21 O LIG 1 4.205 -2.200 -0.312 0.00 0.00 -0.376 OA ATOM 22 C LIG 1 3.759 -1.844 -1.647 0.00 0.00 +0.184 C ENDBRANCH 17 19 ENDBRANCH 8 17 TORSDOF 3