REMARK Name = BDB011779 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.900 2.274 0.359 0.00 0.00 +0.177 C ATOM 2 C LIG 1 0.525 2.693 0.077 0.00 0.00 +0.242 C ATOM 3 O LIG 1 1.007 3.621 0.739 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 1.267 2.014 -0.885 0.00 0.00 -0.264 N ATOM 5 C LIG 1 0.739 1.095 -1.876 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -0.318 0.154 -1.707 0.00 0.00 +0.058 A ATOM 7 C LIG 1 -0.591 -0.728 -2.788 0.00 0.00 +0.025 A ATOM 8 C LIG 1 0.053 -0.651 -4.021 0.00 0.00 +0.002 A ATOM 9 C LIG 1 1.006 0.321 -4.217 0.00 0.00 +0.002 A ATOM 10 N LIG 1 -1.105 -0.045 -0.509 0.00 0.00 -0.263 N ATOM 11 C LIG 1 -2.373 -0.667 -0.567 0.00 0.00 +0.251 C ATOM 12 O LIG 1 -3.124 -0.647 -1.542 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 1.336 1.171 -3.162 0.00 0.00 +0.025 A ATOM 14 C LIG 1 -0.846 0.779 0.664 0.00 0.00 +0.145 C ENDROOT BRANCH 11 15 ATOM 15 C LIG 1 -2.829 -1.412 0.641 0.00 0.00 +0.037 A ATOM 16 C LIG 1 -4.175 -1.345 1.012 0.00 0.00 +0.014 A ATOM 17 C LIG 1 -4.623 -2.052 2.131 0.00 0.00 +0.012 A ATOM 18 C LIG 1 -3.734 -2.837 2.881 0.00 0.00 +0.017 A ATOM 19 C LIG 1 -2.389 -2.914 2.494 0.00 0.00 +0.012 A ATOM 20 C LIG 1 -1.939 -2.208 1.373 0.00 0.00 +0.014 A BRANCH 18 21 ATOM 21 C LIG 1 -4.264 -3.575 4.066 0.00 0.00 +0.160 C ATOM 22 O LIG 1 -5.472 -3.574 4.295 0.00 0.00 -0.292 OA ATOM 23 C LIG 1 -3.300 -4.314 4.957 0.00 0.00 +0.091 C ENDBRANCH 18 21 ENDBRANCH 11 15 BRANCH 1 25 ATOM 24 C LIG 1 -3.211 2.606 -0.403 0.00 0.00 +0.230 C ATOM 25 N LIG 1 -1.859 2.682 -0.661 0.00 0.00 -0.301 N ATOM 26 H LIG 1 -1.567 2.636 -1.630 0.00 0.00 +0.150 HD ATOM 27 O LIG 1 -3.642 2.275 0.704 0.00 0.00 -0.274 OA BRANCH 24 28 ATOM 28 C LIG 1 -4.144 2.870 -1.615 0.00 0.00 +0.137 C ATOM 29 C LIG 1 -3.749 4.135 -2.375 0.00 0.00 +0.034 C BRANCH 28 31 ATOM 30 C LIG 1 -6.502 2.426 -2.011 0.00 0.00 +0.101 C ATOM 31 N LIG 1 -5.527 3.038 -1.116 0.00 0.00 -0.309 NA ATOM 32 H LIG 1 -5.585 2.576 -0.201 0.00 0.00 +0.122 HD ENDBRANCH 28 31 ENDBRANCH 24 28 ENDBRANCH 1 25 BRANCH 4 33 ATOM 33 C LIG 1 2.713 2.379 -0.939 0.00 0.00 +0.153 C BRANCH 33 34 ATOM 34 C LIG 1 3.674 1.188 -0.903 0.00 0.00 +0.020 A ATOM 35 C LIG 1 3.708 0.300 0.219 0.00 0.00 -0.010 A ATOM 36 C LIG 1 4.516 -0.863 0.151 0.00 0.00 -0.017 A ATOM 37 C LIG 1 4.533 -1.788 1.211 0.00 0.00 +0.023 A ATOM 38 C LIG 1 3.777 -1.573 2.366 0.00 0.00 +0.060 A ATOM 39 C LIG 1 3.013 -0.414 2.470 0.00 0.00 +0.015 A ATOM 40 C LIG 1 5.309 -1.091 -0.976 0.00 0.00 +0.012 A ATOM 41 C LIG 1 5.344 -0.177 -2.027 0.00 0.00 +0.046 A ATOM 42 C LIG 1 2.991 0.509 1.419 0.00 0.00 +0.010 A ATOM 43 C LIG 1 4.545 0.965 -1.996 0.00 0.00 +0.125 A BRANCH 38 44 ATOM 44 C LIG 1 3.750 -2.539 3.495 0.00 0.00 +0.339 C ATOM 45 O LIG 1 2.900 -2.520 4.370 0.00 0.00 -0.245 OA BRANCH 44 46 ATOM 46 O LIG 1 4.793 -3.402 3.411 0.00 0.00 -0.464 OA ATOM 47 C LIG 1 4.856 -4.344 4.483 0.00 0.00 +0.280 C ENDBRANCH 44 46 ENDBRANCH 38 44 BRANCH 43 48 ATOM 48 O LIG 1 4.541 1.915 -2.986 0.00 0.00 -0.495 OA ATOM 49 C LIG 1 5.502 1.796 -4.029 0.00 0.00 +0.277 C ENDBRANCH 43 48 ENDBRANCH 33 34 ENDBRANCH 4 33 TORSDOF 10