REMARK Name = BDB011774 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.189 0.600 0.463 0.00 0.00 +0.177 C ATOM 2 C LIG 1 1.066 0.055 -0.176 0.00 0.00 +0.242 C ATOM 3 O LIG 1 1.646 0.726 -1.041 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 1.543 -1.198 0.227 0.00 0.00 -0.268 N ATOM 5 C LIG 1 0.983 -2.093 1.242 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -0.349 -2.108 1.766 0.00 0.00 +0.058 A ATOM 7 C LIG 1 -0.680 -3.105 2.724 0.00 0.00 +0.025 A ATOM 8 C LIG 1 0.235 -4.026 3.222 0.00 0.00 +0.002 A ATOM 9 C LIG 1 1.525 -3.996 2.757 0.00 0.00 +0.002 A ATOM 10 N LIG 1 -1.452 -1.263 1.349 0.00 0.00 -0.263 N ATOM 11 C LIG 1 -2.499 -0.934 2.250 0.00 0.00 +0.251 C ATOM 12 O LIG 1 -2.470 -1.085 3.470 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 1.880 -3.056 1.788 0.00 0.00 +0.025 A ATOM 14 C LIG 1 -1.261 -0.434 0.174 0.00 0.00 +0.145 C ENDROOT BRANCH 11 15 ATOM 15 C LIG 1 -3.757 -0.376 1.696 0.00 0.00 +0.037 A ATOM 16 C LIG 1 -4.278 0.801 2.241 0.00 0.00 +0.014 A ATOM 17 C LIG 1 -5.460 1.339 1.728 0.00 0.00 +0.012 A ATOM 18 C LIG 1 -6.139 0.696 0.682 0.00 0.00 +0.017 A ATOM 19 C LIG 1 -5.628 -0.501 0.161 0.00 0.00 +0.012 A ATOM 20 C LIG 1 -4.443 -1.042 0.673 0.00 0.00 +0.014 A BRANCH 18 21 ATOM 21 C LIG 1 -7.388 1.322 0.156 0.00 0.00 +0.160 C ATOM 22 O LIG 1 -7.791 2.381 0.631 0.00 0.00 -0.292 OA ATOM 23 C LIG 1 -8.129 0.640 -0.967 0.00 0.00 +0.091 C ENDBRANCH 18 21 ENDBRANCH 11 15 BRANCH 1 25 ATOM 24 C LIG 1 -1.279 2.831 0.568 0.00 0.00 +0.230 C ATOM 25 N LIG 1 -0.528 1.901 -0.110 0.00 0.00 -0.301 N ATOM 26 H LIG 1 -0.316 2.079 -1.087 0.00 0.00 +0.150 HD ATOM 27 O LIG 1 -1.669 2.656 1.717 0.00 0.00 -0.274 OA BRANCH 24 28 ATOM 28 C LIG 1 -1.578 4.099 -0.260 0.00 0.00 +0.137 C ATOM 29 C LIG 1 -2.371 5.131 0.536 0.00 0.00 +0.034 C BRANCH 28 31 ATOM 30 C LIG 1 -3.512 3.115 -1.431 0.00 0.00 +0.101 C ATOM 31 N LIG 1 -2.199 3.740 -1.562 0.00 0.00 -0.309 NA ATOM 32 H LIG 1 -2.311 4.598 -2.105 0.00 0.00 +0.122 HD ENDBRANCH 28 31 ENDBRANCH 24 28 ENDBRANCH 1 25 BRANCH 4 33 ATOM 33 C LIG 1 2.801 -1.584 -0.450 0.00 0.00 +0.118 C BRANCH 33 34 ATOM 34 C LIG 1 4.036 -0.924 0.187 0.00 0.00 +0.055 C BRANCH 34 35 ATOM 35 C LIG 1 5.328 -1.457 -0.398 0.00 0.00 -0.038 A ATOM 36 C LIG 1 5.878 -0.965 -1.615 0.00 0.00 -0.015 A ATOM 37 C LIG 1 7.083 -1.539 -2.097 0.00 0.00 -0.018 A ATOM 38 C LIG 1 7.655 -1.075 -3.293 0.00 0.00 +0.008 A ATOM 39 C LIG 1 7.059 -0.051 -4.025 0.00 0.00 +0.001 A ATOM 40 C LIG 1 5.880 0.522 -3.569 0.00 0.00 +0.001 A ATOM 41 C LIG 1 7.705 -2.570 -1.379 0.00 0.00 +0.008 A ATOM 42 C LIG 1 7.157 -3.045 -0.192 0.00 0.00 +0.001 A ATOM 43 C LIG 1 5.297 0.071 -2.382 0.00 0.00 +0.009 A ATOM 44 C LIG 1 5.978 -2.494 0.295 0.00 0.00 +0.004 A ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 4 33 TORSDOF 8