REMARK Name = BDB060290 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.256 0.102 0.333 0.00 0.00 +0.218 A ATOM 2 N LIG 1 -0.707 -0.113 1.603 0.00 0.00 -0.246 N ATOM 3 H LIG 1 -0.145 -0.257 2.437 0.00 0.00 +0.192 HD ATOM 4 N LIG 1 -2.050 -0.127 1.654 0.00 0.00 -0.149 NA ATOM 5 C LIG 1 -2.378 0.088 0.363 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -1.279 0.232 -0.470 0.00 0.00 -0.192 NA ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -3.762 0.165 -0.132 0.00 0.00 +0.110 A ATOM 8 N LIG 1 -3.935 0.393 -1.462 0.00 0.00 -0.252 NA ATOM 9 C LIG 1 -5.203 0.464 -1.921 0.00 0.00 +0.111 A ATOM 10 C LIG 1 -6.323 0.321 -1.120 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -6.135 0.089 0.236 0.00 0.00 +0.004 A ATOM 12 C LIG 1 -4.839 0.010 0.741 0.00 0.00 +0.031 A ENDBRANCH 5 7 BRANCH 1 15 ATOM 13 O LIG 1 1.904 -0.261 2.058 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 2.080 -0.003 0.869 0.00 0.00 +0.250 C ATOM 15 N LIG 1 1.061 0.173 -0.041 0.00 0.00 -0.251 N ATOM 16 H LIG 1 1.221 0.301 -1.030 0.00 0.00 +0.158 HD BRANCH 14 17 ATOM 17 C LIG 1 3.464 0.108 0.330 0.00 0.00 +0.037 A ATOM 18 C LIG 1 3.774 0.916 -0.772 0.00 0.00 +0.013 A ATOM 19 C LIG 1 5.090 0.986 -1.237 0.00 0.00 +0.001 A ATOM 20 C LIG 1 6.098 0.260 -0.603 0.00 0.00 +0.000 A ATOM 21 C LIG 1 5.797 -0.533 0.504 0.00 0.00 +0.001 A ATOM 22 C LIG 1 4.485 -0.606 0.973 0.00 0.00 +0.013 A ENDBRANCH 14 17 ENDBRANCH 1 15 TORSDOF 3