REMARK Name = BDB061346 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.909 -1.536 0.414 0.00 0.00 +0.035 A ATOM 2 C LIG 1 5.507 -0.691 1.452 0.00 0.00 +0.027 A ATOM 3 C LIG 1 4.185 -0.268 1.496 0.00 0.00 -0.038 A ATOM 4 C LIG 1 3.558 0.656 2.495 0.00 0.00 +0.040 C ATOM 5 C LIG 1 2.063 0.390 2.268 0.00 0.00 +0.067 C ATOM 6 C LIG 1 1.930 -0.018 0.790 0.00 0.00 +0.216 C ATOM 7 C LIG 1 0.711 -0.863 0.532 0.00 0.00 +0.273 C ATOM 8 O LIG 1 0.492 -1.992 0.938 0.00 0.00 -0.270 OA ATOM 9 N LIG 1 -0.095 -0.115 -0.266 0.00 0.00 -0.195 N ATOM 10 C LIG 1 0.498 1.052 -0.588 0.00 0.00 +0.411 C ATOM 11 O LIG 1 0.007 1.935 -1.278 0.00 0.00 -0.226 OA ATOM 12 O LIG 1 1.741 1.130 -0.035 0.00 0.00 -0.429 OA ATOM 13 C LIG 1 3.263 -0.652 0.514 0.00 0.00 +0.008 A ATOM 14 C LIG 1 3.648 -1.481 -0.526 0.00 0.00 +0.010 A ATOM 15 C LIG 1 4.972 -1.933 -0.561 0.00 0.00 +0.024 A ENDROOT BRANCH 1 20 ATOM 16 C LIG 1 10.684 -2.214 1.345 0.00 0.00 +0.129 C ATOM 17 N LIG 1 9.420 -2.442 0.678 0.00 0.00 -0.302 N ATOM 18 H LIG 1 9.174 -3.409 0.517 0.00 0.00 +0.150 HD ATOM 19 C LIG 1 8.343 -1.625 0.976 0.00 0.00 +0.304 C ATOM 20 N LIG 1 7.219 -2.043 0.293 0.00 0.00 -0.269 N ATOM 21 H LIG 1 7.403 -2.636 -0.501 0.00 0.00 +0.156 HD ATOM 22 O LIG 1 8.432 -0.665 1.732 0.00 0.00 -0.253 OA ENDBRANCH 1 20 BRANCH 9 23 ATOM 23 C LIG 1 -1.447 -0.453 -0.647 0.00 0.00 +0.215 C BRANCH 23 24 ATOM 24 C LIG 1 -2.384 0.297 0.314 0.00 0.00 +0.234 C ATOM 25 N LIG 1 -3.483 0.973 -0.213 0.00 0.00 -0.289 N ATOM 26 C LIG 1 -4.542 1.384 0.731 0.00 0.00 +0.117 C ATOM 27 C LIG 1 -5.369 2.618 0.290 0.00 0.00 +0.251 C ATOM 28 O LIG 1 -6.302 2.413 -0.772 0.00 0.00 -0.490 OA ATOM 29 C LIG 1 -5.916 1.850 -1.951 0.00 0.00 +0.125 A ATOM 30 C LIG 1 -4.622 1.474 -2.335 0.00 0.00 +0.014 A ATOM 31 C LIG 1 -4.445 0.846 -3.586 0.00 0.00 +0.047 A ATOM 32 C LIG 1 -5.528 0.604 -4.419 0.00 0.00 +0.124 A ATOM 33 C LIG 1 -6.808 0.986 -4.050 0.00 0.00 +0.042 A ATOM 34 F LIG 1 -5.331 -0.013 -5.592 0.00 0.00 -0.205 F ATOM 35 C LIG 1 -6.997 1.613 -2.819 0.00 0.00 +0.049 A ATOM 36 C LIG 1 -3.409 1.701 -1.479 0.00 0.00 +0.147 C ATOM 37 O LIG 1 -2.165 0.251 1.530 0.00 0.00 -0.274 OA BRANCH 26 38 ATOM 38 C LIG 1 -5.450 0.198 1.003 0.00 0.00 +0.013 C ATOM 39 C LIG 1 -6.254 0.125 2.280 0.00 0.00 +0.006 C ATOM 40 C LIG 1 -5.117 -0.833 2.058 0.00 0.00 +0.006 C ENDBRANCH 26 38 ENDBRANCH 23 24 ENDBRANCH 9 23 TORSDOF 4