REMARK Name = BDB008159 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.520 0.621 -0.974 0.00 0.00 +0.159 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -2.467 0.083 0.483 0.00 0.00 +0.237 C ATOM 3 N LIG 1 -1.446 -0.307 -0.338 0.00 0.00 -0.302 N ATOM 4 H LIG 1 -1.181 -1.290 -0.347 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 -2.801 1.244 0.689 0.00 0.00 -0.273 OA BRANCH 2 6 ATOM 6 C LIG 1 -3.076 -1.054 1.279 0.00 0.00 +0.111 C ATOM 7 C LIG 1 -3.833 -2.110 0.493 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -4.592 -1.122 1.331 0.00 0.00 +0.038 C BRANCH 6 11 ATOM 9 C LIG 1 -1.509 -2.428 4.479 0.00 0.00 +0.109 C ATOM 10 C LIG 1 -2.511 -2.409 3.353 0.00 0.00 +0.211 C ATOM 11 N LIG 1 -2.286 -1.393 2.450 0.00 0.00 -0.302 N ATOM 12 H LIG 1 -1.550 -0.722 2.688 0.00 0.00 +0.150 HD ATOM 13 O LIG 1 -3.430 -3.218 3.301 0.00 0.00 -0.276 OA ENDBRANCH 6 11 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 14 ATOM 14 C LIG 1 0.439 -0.205 -1.857 0.00 0.00 +0.234 C ATOM 15 N LIG 1 1.159 0.527 -2.780 0.00 0.00 -0.302 N ATOM 16 H LIG 1 1.259 1.517 -2.588 0.00 0.00 +0.150 HD ATOM 17 O LIG 1 0.556 -1.424 -1.730 0.00 0.00 -0.274 OA BRANCH 15 18 ATOM 18 C LIG 1 2.303 -0.083 -3.462 0.00 0.00 +0.161 C BRANCH 18 19 ATOM 19 C LIG 1 3.527 0.141 -2.549 0.00 0.00 +0.231 C ATOM 20 O LIG 1 3.616 1.083 -1.763 0.00 0.00 -0.274 OA ATOM 21 N LIG 1 4.553 -0.748 -2.684 0.00 0.00 -0.328 N ATOM 22 H LIG 1 5.305 -0.655 -2.011 0.00 0.00 +0.145 HD ATOM 23 H LIG 1 4.381 -1.679 -3.042 0.00 0.00 +0.145 HD ENDBRANCH 18 19 BRANCH 18 24 ATOM 24 C LIG 1 2.474 0.498 -4.883 0.00 0.00 +0.012 C ATOM 25 C LIG 1 3.439 -0.336 -5.730 0.00 0.00 +0.009 C ATOM 26 C LIG 1 2.905 1.968 -4.900 0.00 0.00 +0.009 C ENDBRANCH 18 24 ENDBRANCH 15 18 ENDBRANCH 1 14 BRANCH 1 27 ATOM 27 C LIG 1 0.261 1.483 0.038 0.00 0.00 +0.033 C BRANCH 27 28 ATOM 28 C LIG 1 0.934 0.674 1.163 0.00 0.00 +0.023 C BRANCH 28 29 ATOM 29 C LIG 1 0.676 1.242 2.562 0.00 0.00 +0.115 C BRANCH 29 30 ATOM 30 N LIG 1 -0.743 1.142 2.902 0.00 0.00 -0.356 N ATOM 31 H LIG 1 -1.321 1.698 2.270 0.00 0.00 +0.162 HD BRANCH 30 32 ATOM 32 C LIG 1 -1.155 1.291 4.185 0.00 0.00 +0.188 C ATOM 33 N LIG 1 -0.417 1.111 5.215 0.00 0.00 -0.269 NA ATOM 34 H LIG 1 -0.959 1.303 6.060 0.00 0.00 +0.190 HD BRANCH 32 35 ATOM 35 N LIG 1 -2.459 1.612 4.250 0.00 0.00 -0.370 N ATOM 36 H LIG 1 -3.033 1.277 3.482 0.00 0.00 +0.159 HD ATOM 37 H LIG 1 -2.911 1.474 5.145 0.00 0.00 +0.159 HD ENDBRANCH 32 35 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 1 27 TORSDOF 13