REMARK Name = BDB056352 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.210 1.615 -0.825 0.00 0.00 +0.177 C ATOM 2 C LIG 1 -1.242 1.224 -0.958 0.00 0.00 +0.242 C ATOM 3 O LIG 1 -2.086 2.085 -1.237 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -1.573 -0.117 -0.758 0.00 0.00 -0.264 N ATOM 5 C LIG 1 -0.635 -1.218 -0.599 0.00 0.00 +0.058 A ATOM 6 C LIG 1 0.617 -1.194 0.093 0.00 0.00 +0.058 A ATOM 7 C LIG 1 1.249 -2.441 0.331 0.00 0.00 +0.025 A ATOM 8 C LIG 1 0.786 -3.646 -0.197 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -0.347 -3.647 -0.977 0.00 0.00 +0.002 A ATOM 10 N LIG 1 1.259 -0.021 0.637 0.00 0.00 -0.263 N ATOM 11 C LIG 1 2.544 0.029 1.208 0.00 0.00 +0.251 C ATOM 12 O LIG 1 2.791 0.684 2.223 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 -1.042 -2.455 -1.164 0.00 0.00 +0.025 A ATOM 14 C LIG 1 0.581 1.257 0.607 0.00 0.00 +0.145 C ENDROOT BRANCH 11 15 ATOM 15 C LIG 1 3.693 -0.607 0.505 0.00 0.00 +0.037 A ATOM 16 C LIG 1 3.774 -0.637 -0.891 0.00 0.00 +0.015 A ATOM 17 C LIG 1 4.876 -1.233 -1.512 0.00 0.00 +0.023 A ATOM 18 C LIG 1 5.931 -1.750 -0.755 0.00 0.00 +0.025 A ATOM 19 C LIG 1 5.828 -1.742 0.639 0.00 0.00 +0.023 A ATOM 20 C LIG 1 4.732 -1.148 1.269 0.00 0.00 +0.015 A BRANCH 18 21 ATOM 21 N LIG 1 6.968 -2.453 -1.381 0.00 0.00 -0.358 N ATOM 22 H LIG 1 7.815 -2.511 -0.825 0.00 0.00 +0.142 HD ATOM 23 H LIG 1 7.153 -2.147 -2.332 0.00 0.00 +0.142 HD ENDBRANCH 18 21 ENDBRANCH 11 15 BRANCH 1 25 ATOM 24 C LIG 1 1.630 3.569 -1.375 0.00 0.00 +0.230 C ATOM 25 N LIG 1 0.391 3.033 -1.112 0.00 0.00 -0.301 N ATOM 26 H LIG 1 -0.356 3.685 -0.876 0.00 0.00 +0.150 HD ATOM 27 O LIG 1 2.633 2.874 -1.511 0.00 0.00 -0.274 OA BRANCH 24 28 ATOM 28 C LIG 1 1.608 5.108 -1.534 0.00 0.00 +0.137 C ATOM 29 C LIG 1 3.031 5.662 -1.493 0.00 0.00 +0.034 C BRANCH 28 31 ATOM 30 C LIG 1 0.359 7.052 -0.738 0.00 0.00 +0.101 C ATOM 31 N LIG 1 0.743 5.674 -0.468 0.00 0.00 -0.309 NA ATOM 32 H LIG 1 1.253 5.631 0.418 0.00 0.00 +0.122 HD ENDBRANCH 28 31 ENDBRANCH 24 28 ENDBRANCH 1 25 BRANCH 4 33 ATOM 33 C LIG 1 -3.030 -0.402 -0.805 0.00 0.00 +0.153 C BRANCH 33 34 ATOM 34 C LIG 1 -3.581 -1.343 0.267 0.00 0.00 +0.020 A ATOM 35 C LIG 1 -4.379 -2.488 -0.077 0.00 0.00 -0.010 A ATOM 36 C LIG 1 -4.810 -3.351 0.962 0.00 0.00 -0.017 A ATOM 37 C LIG 1 -5.573 -4.497 0.674 0.00 0.00 +0.008 A ATOM 38 C LIG 1 -5.939 -4.808 -0.632 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -5.549 -3.973 -1.666 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -4.486 -3.065 2.290 0.00 0.00 +0.012 A ATOM 41 C LIG 1 -3.766 -1.921 2.624 0.00 0.00 +0.046 A ATOM 42 C LIG 1 -4.787 -2.832 -1.392 0.00 0.00 +0.009 A ATOM 43 C LIG 1 -3.326 -1.050 1.629 0.00 0.00 +0.125 A BRANCH 43 44 ATOM 44 O LIG 1 -2.663 0.124 1.887 0.00 0.00 -0.495 OA ATOM 45 C LIG 1 -2.349 0.425 3.241 0.00 0.00 +0.277 C ENDBRANCH 43 44 ENDBRANCH 33 34 ENDBRANCH 4 33 TORSDOF 8