REMARK Name = BDB055673 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.179 0.994 2.540 0.00 0.00 +0.120 C ATOM 2 C LIG 1 -1.042 0.506 1.809 0.00 0.00 -0.021 A ATOM 3 C LIG 1 -1.616 1.558 1.084 0.00 0.00 -0.042 A ATOM 4 C LIG 1 -2.744 1.360 0.307 0.00 0.00 +0.012 A ATOM 5 C LIG 1 -3.288 0.068 0.226 0.00 0.00 -0.017 A ATOM 6 C LIG 1 -2.726 -0.976 0.996 0.00 0.00 +0.009 A ATOM 7 C LIG 1 -0.859 2.835 1.283 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -1.608 -0.758 1.802 0.00 0.00 +0.006 A ATOM 9 C LIG 1 0.485 2.322 1.819 0.00 0.00 +0.034 C ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 1.988 -0.316 3.719 0.00 0.00 +0.111 A ATOM 11 N LIG 1 1.293 0.059 2.569 0.00 0.00 -0.316 N ATOM 12 C LIG 1 1.895 -0.587 1.509 0.00 0.00 +0.135 A ATOM 13 C LIG 1 2.914 -1.295 2.093 0.00 0.00 +0.096 A ATOM 14 C LIG 1 3.790 -2.075 1.311 0.00 0.00 +0.048 A ATOM 15 C LIG 1 3.612 -2.107 -0.020 0.00 0.00 +0.091 A ATOM 16 N LIG 1 2.575 -1.403 -0.643 0.00 0.00 -0.309 N ATOM 17 C LIG 1 1.648 -0.611 0.082 0.00 0.00 +0.277 A ATOM 18 O LIG 1 0.717 -0.018 -0.461 0.00 0.00 -0.265 OA ATOM 19 N LIG 1 2.975 -1.148 3.433 0.00 0.00 -0.232 NA BRANCH 10 21 ATOM 20 C LIG 1 0.584 -0.679 5.750 0.00 0.00 +0.012 C ATOM 21 C LIG 1 1.679 0.155 5.105 0.00 0.00 +0.071 C ENDBRANCH 10 21 BRANCH 16 22 ATOM 22 C LIG 1 2.467 -1.446 -2.101 0.00 0.00 +0.160 C BRANCH 22 23 ATOM 23 C LIG 1 3.309 -0.382 -2.769 0.00 0.00 -0.028 A ATOM 24 C LIG 1 4.642 -0.637 -3.123 0.00 0.00 +0.005 A ATOM 25 C LIG 1 5.419 0.356 -3.723 0.00 0.00 +0.000 A ATOM 26 C LIG 1 4.873 1.614 -3.974 0.00 0.00 +0.000 A ATOM 27 C LIG 1 3.551 1.880 -3.625 0.00 0.00 +0.000 A ATOM 28 C LIG 1 2.773 0.889 -3.023 0.00 0.00 +0.005 A ENDBRANCH 22 23 ENDBRANCH 16 22 ENDBRANCH 1 11 BRANCH 5 29 ATOM 29 C LIG 1 -4.420 -0.206 -0.665 0.00 0.00 -0.007 A ATOM 30 C LIG 1 -4.296 -0.350 -2.068 0.00 0.00 +0.028 A ATOM 31 C LIG 1 -5.471 -0.601 -2.812 0.00 0.00 +0.012 A ATOM 32 C LIG 1 -6.723 -0.714 -2.205 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -6.836 -0.577 -0.831 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -5.696 -0.326 -0.070 0.00 0.00 +0.009 A BRANCH 30 35 ATOM 35 C LIG 1 -3.040 -0.262 -2.837 0.00 0.00 +0.180 A ATOM 36 N LIG 1 -1.749 -0.209 -2.367 0.00 0.00 -0.239 N ATOM 37 H LIG 1 -1.379 -0.209 -1.422 0.00 0.00 +0.192 HD ATOM 38 N LIG 1 -0.882 -0.150 -3.391 0.00 0.00 -0.046 NA ATOM 39 N LIG 1 -1.628 -0.166 -4.481 0.00 0.00 -0.023 NA ATOM 40 N LIG 1 -2.955 -0.237 -4.160 0.00 0.00 -0.108 NA ENDBRANCH 30 35 ENDBRANCH 5 29 TORSDOF 6