REMARK Name = BDB057933 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.405 0.065 0.213 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -1.448 -0.454 1.503 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.453 -1.218 1.976 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -2.536 -0.191 2.329 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -3.603 0.575 1.851 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -3.598 1.067 0.536 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -2.482 0.815 -0.276 0.00 0.00 +0.020 A ENDROOT BRANCH 1 13 ATOM 8 C LIG 1 5.076 1.359 0.466 0.00 0.00 +0.247 C ATOM 9 N LIG 1 3.788 0.875 0.264 0.00 0.00 -0.295 N ATOM 10 C LIG 1 3.462 -0.340 -0.498 0.00 0.00 +0.127 C ATOM 11 C LIG 1 2.111 -0.245 -1.220 0.00 0.00 +0.127 C ATOM 12 N LIG 1 1.014 0.119 -0.321 0.00 0.00 -0.294 N ATOM 13 C LIG 1 -0.280 -0.224 -0.695 0.00 0.00 +0.249 C ATOM 14 O LIG 1 -0.553 -0.735 -1.780 0.00 0.00 -0.270 OA ATOM 15 C LIG 1 1.359 0.968 0.830 0.00 0.00 +0.127 C ATOM 16 C LIG 1 2.665 1.745 0.621 0.00 0.00 +0.127 C ATOM 17 O LIG 1 5.312 2.499 0.858 0.00 0.00 -0.270 OA BRANCH 8 23 ATOM 18 C LIG 1 9.628 -2.081 -0.538 0.00 0.00 +0.045 C ATOM 19 C LIG 1 8.459 -1.163 -0.304 0.00 0.00 -0.037 A ATOM 20 C LIG 1 8.350 0.106 -0.903 0.00 0.00 +0.017 A ATOM 21 I LIG 1 9.809 0.873 -2.204 0.00 0.00 -0.044 I ATOM 22 C LIG 1 7.242 0.922 -0.648 0.00 0.00 +0.027 A ATOM 23 C LIG 1 6.227 0.469 0.198 0.00 0.00 +0.038 A ATOM 24 C LIG 1 6.331 -0.774 0.823 0.00 0.00 +0.013 A ATOM 25 C LIG 1 7.438 -1.586 0.566 0.00 0.00 +0.005 A ENDBRANCH 8 23 ENDBRANCH 1 13 BRANCH 6 26 ATOM 26 C LIG 1 -4.756 1.883 0.006 0.00 0.00 +0.093 C BRANCH 26 27 ATOM 27 C LIG 1 -6.111 1.218 0.217 0.00 0.00 +0.074 A ATOM 28 C LIG 1 -6.541 0.103 -0.666 0.00 0.00 +0.011 A ATOM 29 C LIG 1 -7.786 -0.468 -0.407 0.00 0.00 +0.050 A ATOM 30 C LIG 1 -8.265 -1.526 -1.190 0.00 0.00 +0.014 A ATOM 31 C LIG 1 -7.490 -2.016 -2.240 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -6.245 -1.449 -2.505 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -8.599 0.053 0.704 0.00 0.00 +0.272 A ATOM 34 O LIG 1 -9.700 -0.417 0.968 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 -8.052 1.089 1.419 0.00 0.00 -0.242 N ATOM 36 H LIG 1 -8.601 1.463 2.187 0.00 0.00 +0.192 HD ATOM 37 C LIG 1 -5.769 -0.392 -1.724 0.00 0.00 +0.010 A ATOM 38 N LIG 1 -6.841 1.666 1.197 0.00 0.00 -0.175 NA ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 4