REMARK Name = BDB063169 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.965 -0.251 0.406 0.00 0.00 +0.102 A ATOM 2 C LIG 1 -1.525 0.962 -0.265 0.00 0.00 +0.264 A ATOM 3 O LIG 1 -0.760 1.728 -0.858 0.00 0.00 -0.267 OA ATOM 4 N LIG 1 -2.900 1.178 -0.191 0.00 0.00 -0.311 N ATOM 5 C LIG 1 -3.452 2.357 -0.842 0.00 0.00 +0.152 C ATOM 6 C LIG 1 -3.771 0.282 0.498 0.00 0.00 +0.052 A ATOM 7 C LIG 1 -3.224 -0.850 1.121 0.00 0.00 -0.001 A ATOM 8 C LIG 1 -4.051 -1.750 1.806 0.00 0.00 +0.010 A ATOM 9 C LIG 1 -5.425 -1.529 1.877 0.00 0.00 +0.001 A ATOM 10 C LIG 1 -5.977 -0.409 1.263 0.00 0.00 +0.002 A ATOM 11 C LIG 1 -5.156 0.491 0.578 0.00 0.00 +0.026 A ATOM 12 C LIG 1 -1.788 -1.091 1.054 0.00 0.00 +0.028 A ENDROOT BRANCH 1 15 ATOM 13 N LIG 1 1.308 0.284 -0.271 0.00 0.00 -0.281 N ATOM 14 H LIG 1 0.838 1.084 -0.699 0.00 0.00 +0.155 HD ATOM 15 C LIG 1 0.501 -0.605 0.405 0.00 0.00 +0.254 C ATOM 16 O LIG 1 0.887 -1.621 0.979 0.00 0.00 -0.270 OA BRANCH 13 21 ATOM 17 C LIG 1 6.971 0.332 -1.134 0.00 0.00 +0.044 C ATOM 18 C LIG 1 5.488 0.287 -0.921 0.00 0.00 -0.050 A ATOM 19 C LIG 1 4.667 1.304 -1.416 0.00 0.00 +0.005 A ATOM 20 C LIG 1 3.288 1.274 -1.187 0.00 0.00 +0.023 A ATOM 21 C LIG 1 2.705 0.234 -0.452 0.00 0.00 +0.034 A ATOM 22 C LIG 1 3.527 -0.772 0.054 0.00 0.00 +0.023 A ATOM 23 C LIG 1 4.908 -0.743 -0.174 0.00 0.00 +0.005 A ENDBRANCH 13 21 ENDBRANCH 1 15 TORSDOF 2