REMARK Name = BDB027910 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.313 -0.287 0.816 0.00 0.00 -0.333 N ATOM 2 H LIG 1 2.678 -0.658 1.697 0.00 0.00 +0.147 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 3.013 0.942 0.409 0.00 0.00 +0.158 C ATOM 4 C LIG 1 4.388 0.978 1.102 0.00 0.00 +0.239 C ATOM 5 O LIG 1 4.517 1.260 2.293 0.00 0.00 -0.273 OA ATOM 6 N LIG 1 5.473 0.571 0.366 0.00 0.00 -0.255 N ATOM 7 H LIG 1 6.353 0.538 0.863 0.00 0.00 +0.158 HD ATOM 8 C LIG 1 5.462 -0.056 -0.853 0.00 0.00 +0.219 C ATOM 9 O LIG 1 6.478 -0.581 -1.299 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 4.140 -0.114 -1.575 0.00 0.00 +0.098 C ATOM 11 C LIG 1 3.207 0.993 -1.108 0.00 0.00 +0.041 C ENDBRANCH 1 3 BRANCH 1 15 ATOM 12 C LIG 1 -1.897 -0.748 0.808 0.00 0.00 +0.121 A ATOM 13 C LIG 1 -1.330 0.366 0.196 0.00 0.00 +0.047 A ATOM 14 C LIG 1 0.063 0.546 0.198 0.00 0.00 +0.026 A ATOM 15 C LIG 1 0.916 -0.364 0.829 0.00 0.00 +0.028 A ATOM 16 C LIG 1 0.329 -1.496 1.411 0.00 0.00 +0.026 A ATOM 17 C LIG 1 -1.057 -1.681 1.412 0.00 0.00 +0.047 A BRANCH 12 18 ATOM 18 O LIG 1 -3.229 -1.044 0.877 0.00 0.00 -0.492 OA BRANCH 18 19 ATOM 19 C LIG 1 -4.133 -0.114 0.281 0.00 0.00 +0.229 C BRANCH 19 21 ATOM 20 C LIG 1 -6.592 0.283 -0.112 0.00 0.00 +0.007 C ATOM 21 C LIG 1 -5.550 -0.641 0.491 0.00 0.00 +0.038 C ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 12 18 ENDBRANCH 1 15 TORSDOF 5