REMARK Name = BDB056279 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.044 2.079 1.806 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -1.022 2.881 1.381 0.00 0.00 +0.014 A ATOM 3 C LIG 1 -2.337 2.466 1.601 0.00 0.00 +0.014 A ATOM 4 C LIG 1 -2.582 1.246 2.243 0.00 0.00 +0.037 A ATOM 5 C LIG 1 -1.517 0.469 2.713 0.00 0.00 +0.014 A ATOM 6 C LIG 1 -0.202 0.885 2.497 0.00 0.00 +0.014 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 4.429 0.048 -0.378 0.00 0.00 +0.009 C ATOM 8 C LIG 1 2.980 0.227 -0.885 0.00 0.00 +0.024 C ATOM 9 C LIG 1 2.009 0.487 0.262 0.00 0.00 +0.108 C ATOM 10 N LIG 1 2.362 1.696 1.006 0.00 0.00 -0.298 N ATOM 11 C LIG 1 1.429 2.559 1.583 0.00 0.00 +0.247 C ATOM 12 O LIG 1 1.693 3.711 1.919 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 3.740 2.164 0.901 0.00 0.00 +0.108 C ATOM 14 C LIG 1 4.728 1.006 0.798 0.00 0.00 +0.024 C BRANCH 7 16 ATOM 15 C LIG 1 5.750 1.533 -2.041 0.00 0.00 +0.024 C ATOM 16 C LIG 1 5.430 0.102 -1.578 0.00 0.00 +0.057 C BRANCH 16 17 ATOM 17 N LIG 1 6.690 -0.655 -1.433 0.00 0.00 -0.297 NA ATOM 18 C LIG 1 6.505 -2.112 -1.570 0.00 0.00 +0.100 C ATOM 19 C LIG 1 7.846 -2.886 -1.551 0.00 0.00 +0.099 C ATOM 20 N LIG 1 8.719 -2.598 -0.396 0.00 0.00 -0.303 NA ATOM 21 C LIG 1 8.216 -3.216 0.828 0.00 0.00 +0.105 C ATOM 22 C LIG 1 8.853 -1.134 -0.255 0.00 0.00 +0.099 C ATOM 23 C LIG 1 7.516 -0.350 -0.256 0.00 0.00 +0.100 C ENDBRANCH 16 17 ENDBRANCH 7 16 ENDBRANCH 1 11 BRANCH 4 24 ATOM 24 C LIG 1 -3.967 0.790 2.511 0.00 0.00 +0.247 C ATOM 25 N LIG 1 -4.884 0.751 1.460 0.00 0.00 -0.297 N ATOM 26 C LIG 1 -4.507 0.758 0.044 0.00 0.00 +0.109 C ATOM 27 C LIG 1 -5.458 -0.085 -0.799 0.00 0.00 +0.038 C ATOM 28 C LIG 1 -6.901 0.447 -0.694 0.00 0.00 +0.060 C ATOM 29 C LIG 1 -7.242 0.917 0.737 0.00 0.00 +0.038 C ATOM 30 C LIG 1 -6.263 0.391 1.779 0.00 0.00 +0.109 C ATOM 31 O LIG 1 -4.246 0.462 3.662 0.00 0.00 -0.270 OA BRANCH 28 32 ATOM 32 N LIG 1 -7.829 -0.505 -1.321 0.00 0.00 -0.299 NA ATOM 33 C LIG 1 -8.107 -1.733 -0.578 0.00 0.00 +0.085 C ATOM 34 C LIG 1 -9.274 -2.338 -1.345 0.00 0.00 +0.017 C ATOM 35 C LIG 1 -9.955 -1.162 -2.037 0.00 0.00 +0.017 C ATOM 36 C LIG 1 -9.139 0.060 -1.645 0.00 0.00 +0.085 C ENDBRANCH 28 32 ENDBRANCH 4 24 TORSDOF 5