REMARK Name = BDB056016 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.230 1.887 -0.477 0.00 0.00 +0.120 A ATOM 2 N LIG 1 -0.575 3.017 -0.879 0.00 0.00 -0.263 N ATOM 3 H LIG 1 -0.978 3.904 -1.152 0.00 0.00 +0.190 HD ATOM 4 N LIG 1 0.761 2.904 -0.900 0.00 0.00 -0.172 NA ATOM 5 C LIG 1 1.000 1.647 -0.486 0.00 0.00 +0.094 A ATOM 6 C LIG 1 -0.229 0.985 -0.204 0.00 0.00 +0.073 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 2.366 1.121 -0.369 0.00 0.00 +0.002 A ATOM 8 C LIG 1 3.472 1.938 -0.644 0.00 0.00 +0.012 A ATOM 9 C LIG 1 4.782 1.451 -0.535 0.00 0.00 +0.024 A ATOM 10 C LIG 1 5.016 0.132 -0.153 0.00 0.00 +0.035 A ATOM 11 C LIG 1 3.918 -0.689 0.129 0.00 0.00 +0.024 A ATOM 12 C LIG 1 2.608 -0.202 0.020 0.00 0.00 +0.012 A BRANCH 10 13 ATOM 13 N LIG 1 6.300 -0.433 -0.006 0.00 0.00 -0.269 N ATOM 14 H LIG 1 6.325 -1.407 0.255 0.00 0.00 +0.156 HD ATOM 15 C LIG 1 7.517 0.125 -0.374 0.00 0.00 +0.308 C ATOM 16 N LIG 1 8.558 -0.688 0.056 0.00 0.00 -0.269 N ATOM 17 H LIG 1 8.321 -1.368 0.761 0.00 0.00 +0.156 HD ATOM 18 O LIG 1 7.652 1.175 -0.986 0.00 0.00 -0.252 OA BRANCH 16 19 ATOM 19 C LIG 1 9.934 -0.537 -0.214 0.00 0.00 +0.035 A ATOM 20 C LIG 1 10.819 -1.377 0.476 0.00 0.00 +0.023 A ATOM 21 C LIG 1 12.197 -1.298 0.256 0.00 0.00 +0.002 A ATOM 22 C LIG 1 12.703 -0.380 -0.659 0.00 0.00 +0.000 A ATOM 23 C LIG 1 11.832 0.454 -1.355 0.00 0.00 +0.002 A ATOM 24 C LIG 1 10.453 0.374 -1.136 0.00 0.00 +0.023 A ENDBRANCH 16 19 ENDBRANCH 10 13 ENDBRANCH 5 7 BRANCH 1 25 ATOM 25 N LIG 1 -2.584 1.853 -0.394 0.00 0.00 -0.285 N ATOM 26 H LIG 1 -3.127 2.613 -0.791 0.00 0.00 +0.155 HD BRANCH 25 32 ATOM 27 C LIG 1 -3.041 -2.951 -0.603 0.00 0.00 +0.088 C ATOM 28 C LIG 1 -3.640 -1.597 -0.394 0.00 0.00 +0.130 A ATOM 29 N LIG 1 -4.935 -1.539 -0.045 0.00 0.00 -0.218 NA ATOM 30 C LIG 1 -5.478 -0.330 0.169 0.00 0.00 +0.127 A ATOM 31 C LIG 1 -4.700 0.809 0.057 0.00 0.00 +0.087 A ATOM 32 C LIG 1 -3.370 0.673 -0.310 0.00 0.00 +0.129 A ATOM 33 N LIG 1 -2.833 -0.535 -0.526 0.00 0.00 -0.217 NA BRANCH 30 34 ATOM 34 N LIG 1 -6.814 -0.252 0.552 0.00 0.00 -0.313 N ATOM 35 C LIG 1 -7.653 0.839 0.025 0.00 0.00 +0.122 C ATOM 36 C LIG 1 -9.025 0.326 -0.476 0.00 0.00 +0.103 C ATOM 37 N LIG 1 -9.796 -0.496 0.477 0.00 0.00 -0.302 NA ATOM 38 C LIG 1 -10.737 0.305 1.256 0.00 0.00 +0.105 C ATOM 39 C LIG 1 -8.905 -1.270 1.372 0.00 0.00 +0.103 C ATOM 40 C LIG 1 -7.499 -1.534 0.789 0.00 0.00 +0.122 C ENDBRANCH 30 34 ENDBRANCH 25 32 ENDBRANCH 1 25 TORSDOF 6