REMARK Name = BDB046284 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.468 0.947 0.101 0.00 0.00 +0.122 A ATOM 2 N LIG 1 0.578 0.111 -0.088 0.00 0.00 -0.230 NA ATOM 3 C LIG 1 1.840 0.580 0.081 0.00 0.00 +0.097 A ATOM 4 C LIG 1 2.108 1.902 0.429 0.00 0.00 +0.068 A ATOM 5 N LIG 1 3.427 2.341 0.590 0.00 0.00 -0.320 N ATOM 6 H LIG 1 3.623 3.301 0.840 0.00 0.00 +0.169 HD ATOM 7 C LIG 1 4.524 1.526 0.423 0.00 0.00 +0.257 A ATOM 8 C LIG 1 4.276 0.105 0.051 0.00 0.00 +0.049 A ATOM 9 C LIG 1 5.368 -0.755 -0.127 0.00 0.00 +0.014 A ATOM 10 C LIG 1 5.153 -2.088 -0.474 0.00 0.00 +0.001 A ATOM 11 C LIG 1 3.853 -2.560 -0.643 0.00 0.00 +0.001 A ATOM 12 C LIG 1 2.765 -1.701 -0.466 0.00 0.00 +0.011 A ATOM 13 O LIG 1 5.661 1.961 0.577 0.00 0.00 -0.267 OA ATOM 14 C LIG 1 1.047 2.772 0.606 0.00 0.00 +0.031 A ATOM 15 C LIG 1 2.955 -0.353 -0.115 0.00 0.00 +0.015 A ATOM 16 C LIG 1 -0.250 2.287 0.434 0.00 0.00 +0.046 A ENDROOT BRANCH 1 21 ATOM 17 C LIG 1 -5.582 -0.768 -0.135 0.00 0.00 +0.105 C ATOM 18 N LIG 1 -4.238 -1.172 0.269 0.00 0.00 -0.302 NA ATOM 19 C LIG 1 -3.340 -1.243 -0.907 0.00 0.00 +0.103 C ATOM 20 C LIG 1 -1.862 -0.918 -0.594 0.00 0.00 +0.122 C ATOM 21 N LIG 1 -1.757 0.463 -0.092 0.00 0.00 -0.313 N ATOM 22 C LIG 1 -2.826 0.897 0.824 0.00 0.00 +0.122 C ATOM 23 C LIG 1 -3.687 -0.291 1.317 0.00 0.00 +0.103 C ENDBRANCH 1 21 TORSDOF 1