REMARK Name = BDB024386 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.647 -0.267 -1.555 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.474 -1.468 -2.480 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.312 -2.753 -1.931 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.173 -3.872 -2.754 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.204 -3.727 -4.138 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.384 -2.465 -4.699 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.525 -1.345 -3.878 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.332 1.364 -1.542 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.595 2.301 -1.822 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.865 0.982 -2.059 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -1.354 1.718 -2.933 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 3.324 -0.065 1.000 0.00 0.00 +0.049 A ATOM 13 C LIG 1 3.157 1.253 0.584 0.00 0.00 +0.136 A ATOM 14 N LIG 1 2.180 1.691 -0.253 0.00 0.00 -0.238 NA ATOM 15 C LIG 1 1.276 0.798 -0.696 0.00 0.00 +0.125 A ATOM 16 C LIG 1 1.363 -0.540 -0.368 0.00 0.00 +0.045 A ATOM 17 C LIG 1 2.388 -0.965 0.484 0.00 0.00 +0.028 A BRANCH 12 20 ATOM 18 C LIG 1 3.970 1.053 3.752 0.00 0.00 +0.038 C ATOM 19 C LIG 1 4.977 0.339 2.855 0.00 0.00 +0.156 C ATOM 20 N LIG 1 4.335 -0.545 1.838 0.00 0.00 -0.316 N ATOM 21 C LIG 1 5.367 -1.311 1.102 0.00 0.00 +0.125 C ATOM 22 C LIG 1 6.343 -0.353 0.399 0.00 0.00 +0.126 C ATOM 23 N LIG 1 6.865 0.718 1.255 0.00 0.00 -0.302 N ATOM 24 C LIG 1 7.897 1.560 0.678 0.00 0.00 +0.132 C ATOM 25 C LIG 1 6.057 1.276 2.258 0.00 0.00 +0.236 C ATOM 26 O LIG 1 6.249 2.409 2.701 0.00 0.00 -0.274 OA ENDBRANCH 12 20 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 27 ATOM 27 N LIG 1 -3.067 0.145 -1.422 0.00 0.00 -0.301 NA ATOM 28 H LIG 1 -3.389 0.462 -2.338 0.00 0.00 +0.123 HD BRANCH 27 29 ATOM 29 C LIG 1 -3.953 -0.884 -0.878 0.00 0.00 +0.089 C BRANCH 29 30 ATOM 30 C LIG 1 -5.366 -0.367 -0.498 0.00 0.00 +0.030 C ATOM 31 C LIG 1 -6.068 0.361 -1.651 0.00 0.00 +0.014 C BRANCH 30 32 ATOM 32 C LIG 1 -5.374 0.456 0.783 0.00 0.00 -0.043 A ATOM 33 C LIG 1 -4.768 1.719 0.854 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -4.783 2.456 2.041 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -5.407 1.940 3.179 0.00 0.00 +0.052 A ATOM 36 C LIG 1 -6.015 0.683 3.122 0.00 0.00 +0.019 A ATOM 37 C LIG 1 -5.998 -0.053 1.934 0.00 0.00 +0.005 A BRANCH 35 38 ATOM 38 C LIG 1 -5.424 2.693 4.398 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -5.441 3.298 5.388 0.00 0.00 -0.191 NA ENDBRANCH 35 38 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 1 27 TORSDOF 9