REMARK Name = BDB001504 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.393 -0.664 3.382 0.00 0.00 -0.297 N ATOM 2 H LIG 1 -1.406 -1.248 4.213 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -2.711 -0.496 2.884 0.00 0.00 +0.164 A ATOM 4 C LIG 1 -3.735 -0.341 3.803 0.00 0.00 +0.181 A ATOM 5 F LIG 1 -3.516 -0.391 5.124 0.00 0.00 -0.200 F ATOM 6 C LIG 1 -4.994 -0.148 3.300 0.00 0.00 +0.156 A ATOM 7 N LIG 1 -5.261 -0.106 1.982 0.00 0.00 -0.220 NA ATOM 8 C LIG 1 -4.226 -0.261 1.142 0.00 0.00 +0.221 A ATOM 9 N LIG 1 -2.960 -0.448 1.559 0.00 0.00 -0.196 NA BRANCH 8 10 ATOM 10 N LIG 1 -4.386 -0.246 -0.239 0.00 0.00 -0.284 N ATOM 11 H LIG 1 -3.492 -0.422 -0.674 0.00 0.00 +0.155 HD BRANCH 10 12 ATOM 12 C LIG 1 -5.483 -0.094 -1.094 0.00 0.00 +0.034 A ATOM 13 C LIG 1 -6.790 0.141 -0.655 0.00 0.00 +0.027 A ATOM 14 C LIG 1 -7.848 0.289 -1.561 0.00 0.00 +0.047 A ATOM 15 C LIG 1 -7.600 0.204 -2.924 0.00 0.00 +0.117 A ATOM 16 C LIG 1 -6.316 -0.026 -3.392 0.00 0.00 +0.047 A ATOM 17 C LIG 1 -5.266 -0.173 -2.481 0.00 0.00 +0.027 A BRANCH 15 18 ATOM 18 O LIG 1 -8.599 0.342 -3.841 0.00 0.00 -0.507 OA ATOM 19 H LIG 1 -9.433 0.492 -3.367 0.00 0.00 +0.292 HD ENDBRANCH 15 18 ENDBRANCH 10 12 ENDBRANCH 8 10 ENDBRANCH 1 3 BRANCH 1 23 ATOM 20 C LIG 1 2.374 -0.761 1.448 0.00 0.00 +0.037 A ATOM 21 C LIG 1 1.295 -0.125 0.827 0.00 0.00 +0.015 A ATOM 22 C LIG 1 0.044 -0.092 1.456 0.00 0.00 +0.024 A ATOM 23 C LIG 1 -0.165 -0.712 2.694 0.00 0.00 +0.032 A ATOM 24 C LIG 1 0.931 -1.338 3.308 0.00 0.00 +0.024 A ATOM 25 C LIG 1 2.185 -1.377 2.688 0.00 0.00 +0.015 A BRANCH 20 28 ATOM 26 N LIG 1 4.087 0.311 0.115 0.00 0.00 -0.282 N ATOM 27 H LIG 1 3.468 1.109 0.176 0.00 0.00 +0.155 HD ATOM 28 C LIG 1 3.724 -0.822 0.820 0.00 0.00 +0.248 C ATOM 29 O LIG 1 4.400 -1.827 1.001 0.00 0.00 -0.270 OA BRANCH 26 34 ATOM 30 C LIG 1 8.840 1.414 -2.890 0.00 0.00 +0.044 C ATOM 31 C LIG 1 7.590 1.100 -2.124 0.00 0.00 -0.050 A ATOM 32 C LIG 1 6.613 2.079 -1.923 0.00 0.00 +0.005 A ATOM 33 C LIG 1 5.464 1.789 -1.180 0.00 0.00 +0.023 A ATOM 34 C LIG 1 5.276 0.522 -0.614 0.00 0.00 +0.034 A ATOM 35 C LIG 1 6.257 -0.450 -0.806 0.00 0.00 +0.023 A ATOM 36 C LIG 1 7.408 -0.162 -1.549 0.00 0.00 +0.005 A ENDBRANCH 26 34 ENDBRANCH 20 28 ENDBRANCH 1 23 TORSDOF 7