REMARK Name = BDB056125 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.417 0.826 -0.104 0.00 0.00 +0.159 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -2.932 -1.093 -0.551 0.00 0.00 +0.234 C ATOM 3 N LIG 1 -1.998 -0.181 -0.985 0.00 0.00 -0.302 N ATOM 4 H LIG 1 -1.792 -0.075 -1.974 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 -3.240 -1.181 0.636 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 -3.501 -2.020 -1.661 0.00 0.00 +0.161 C BRANCH 6 8 ATOM 7 C LIG 1 -5.051 -3.462 -0.311 0.00 0.00 +0.230 C ATOM 8 N LIG 1 -3.878 -3.292 -1.027 0.00 0.00 -0.302 N ATOM 9 H LIG 1 -3.100 -3.855 -0.706 0.00 0.00 +0.150 HD ATOM 10 O LIG 1 -5.994 -2.675 -0.335 0.00 0.00 -0.274 OA BRANCH 7 11 ATOM 11 C LIG 1 -5.100 -4.783 0.491 0.00 0.00 +0.137 C ATOM 12 C LIG 1 -5.492 -5.918 -0.450 0.00 0.00 +0.034 C BRANCH 11 14 ATOM 13 C LIG 1 -5.600 -3.877 2.687 0.00 0.00 +0.101 C ATOM 14 N LIG 1 -6.091 -4.700 1.585 0.00 0.00 -0.309 NA ATOM 15 H LIG 1 -6.921 -4.238 1.198 0.00 0.00 +0.122 HD ENDBRANCH 11 14 ENDBRANCH 7 11 ENDBRANCH 6 8 BRANCH 6 16 ATOM 16 C LIG 1 -4.588 -1.372 -2.558 0.00 0.00 +0.012 C ATOM 17 C LIG 1 -4.081 -0.142 -3.321 0.00 0.00 +0.009 C ATOM 18 C LIG 1 -5.133 -2.378 -3.582 0.00 0.00 +0.009 C ENDBRANCH 6 16 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 19 ATOM 19 C LIG 1 -0.864 1.960 -0.990 0.00 0.00 +0.234 C ATOM 20 N LIG 1 -0.456 3.080 -0.308 0.00 0.00 -0.307 N ATOM 21 H LIG 1 -0.560 3.130 0.698 0.00 0.00 +0.149 HD ATOM 22 O LIG 1 -0.781 1.845 -2.213 0.00 0.00 -0.274 OA BRANCH 20 23 ATOM 23 C LIG 1 0.164 4.216 -0.975 0.00 0.00 +0.103 C ATOM 24 C LIG 1 0.019 5.440 -0.091 0.00 0.00 -0.024 A ATOM 25 C LIG 1 1.098 5.940 0.663 0.00 0.00 -0.042 A ATOM 26 C LIG 1 0.902 7.059 1.488 0.00 0.00 +0.004 A ATOM 27 C LIG 1 -0.352 7.663 1.582 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -1.422 7.162 0.848 0.00 0.00 +0.000 A ATOM 29 C LIG 1 2.483 5.350 0.557 0.00 0.00 +0.035 C ATOM 30 C LIG 1 2.505 3.957 -0.066 0.00 0.00 +0.007 C ATOM 31 C LIG 1 -1.239 6.058 0.018 0.00 0.00 +0.006 A ATOM 32 C LIG 1 1.633 3.917 -1.317 0.00 0.00 +0.027 C ENDBRANCH 20 23 ENDBRANCH 1 19 BRANCH 1 33 ATOM 33 C LIG 1 -0.335 0.244 0.821 0.00 0.00 +0.033 C BRANCH 33 34 ATOM 34 C LIG 1 0.838 -0.397 0.070 0.00 0.00 +0.021 C BRANCH 34 35 ATOM 35 C LIG 1 1.892 -0.918 1.041 0.00 0.00 +0.107 C BRANCH 35 36 ATOM 36 N LIG 1 2.995 -1.530 0.338 0.00 0.00 -0.281 N ATOM 37 H LIG 1 3.322 -1.140 -0.535 0.00 0.00 +0.152 HD ATOM 38 C LIG 1 3.930 -2.272 0.998 0.00 0.00 +0.401 C ATOM 39 O LIG 1 3.849 -2.633 2.162 0.00 0.00 -0.226 OA BRANCH 38 40 ATOM 40 O LIG 1 4.960 -2.520 0.159 0.00 0.00 -0.446 OA BRANCH 40 41 ATOM 41 C LIG 1 6.056 -3.251 0.720 0.00 0.00 +0.269 C BRANCH 41 42 ATOM 42 C LIG 1 7.164 -2.293 1.071 0.00 0.00 -0.010 A ATOM 43 C LIG 1 7.238 -1.734 2.354 0.00 0.00 +0.007 A ATOM 44 C LIG 1 8.251 -0.830 2.676 0.00 0.00 +0.000 A ATOM 45 C LIG 1 9.196 -0.471 1.717 0.00 0.00 +0.000 A ATOM 46 C LIG 1 9.125 -1.010 0.433 0.00 0.00 +0.000 A ATOM 47 C LIG 1 8.112 -1.915 0.110 0.00 0.00 +0.007 A ENDBRANCH 41 42 ENDBRANCH 40 41 ENDBRANCH 38 40 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 1 33 TORSDOF 15