REMARK Name = BDB019669 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.209 -0.118 0.557 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -1.553 1.155 0.077 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -2.472 1.315 -0.971 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -3.043 0.158 -1.530 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -2.715 -1.126 -1.062 0.00 0.00 -0.027 A ATOM 6 C LIG 1 -1.800 -1.254 -0.006 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.829 2.654 -1.467 0.00 0.00 -0.015 A ATOM 8 C LIG 1 -3.239 3.667 -0.590 0.00 0.00 +0.031 A ATOM 9 C LIG 1 -3.569 4.924 -1.092 0.00 0.00 +0.039 A ATOM 10 C LIG 1 -4.019 6.010 -0.161 0.00 0.00 +0.065 C ATOM 11 N LIG 1 -3.518 5.218 -2.410 0.00 0.00 -0.260 NA ATOM 12 C LIG 1 -3.118 4.237 -3.246 0.00 0.00 +0.111 A ATOM 13 C LIG 1 -2.771 2.963 -2.830 0.00 0.00 +0.028 A ENDBRANCH 3 7 BRANCH 1 16 ATOM 14 N LIG 1 0.531 -1.353 1.735 0.00 0.00 -0.307 N ATOM 15 H LIG 1 0.528 -1.987 0.949 0.00 0.00 +0.149 HD ATOM 16 C LIG 1 -0.229 -0.205 1.676 0.00 0.00 +0.244 C ATOM 17 O LIG 1 -0.112 0.731 2.458 0.00 0.00 -0.270 OA BRANCH 14 18 ATOM 18 C LIG 1 1.630 -1.482 2.664 0.00 0.00 +0.140 C BRANCH 18 23 ATOM 19 C LIG 1 4.915 -1.950 0.778 0.00 0.00 +0.124 A ATOM 20 C LIG 1 5.349 -0.627 0.648 0.00 0.00 +0.091 A ATOM 21 C LIG 1 4.584 0.417 1.176 0.00 0.00 +0.124 A ATOM 22 C LIG 1 3.382 0.131 1.828 0.00 0.00 +0.051 A ATOM 23 C LIG 1 2.940 -1.189 1.980 0.00 0.00 -0.023 A ATOM 24 C LIG 1 3.716 -2.223 1.443 0.00 0.00 +0.051 A BRANCH 19 26 ATOM 25 C LIG 1 6.785 -2.846 -0.392 0.00 0.00 +0.277 C ATOM 26 O LIG 1 5.560 -3.059 0.297 0.00 0.00 -0.495 OA ENDBRANCH 19 26 BRANCH 21 27 ATOM 27 O LIG 1 4.891 1.750 1.111 0.00 0.00 -0.495 OA ATOM 28 C LIG 1 6.153 2.098 0.558 0.00 0.00 +0.277 C ENDBRANCH 21 27 ENDBRANCH 18 23 ENDBRANCH 14 18 ENDBRANCH 1 16 BRANCH 5 29 ATOM 29 C LIG 1 -3.364 -2.352 -1.661 0.00 0.00 +0.151 C BRANCH 29 30 ATOM 30 N LIG 1 -4.363 -2.882 -0.750 0.00 0.00 -0.352 N ATOM 31 H LIG 1 -4.964 -2.151 -0.387 0.00 0.00 +0.163 HD BRANCH 30 32 ATOM 32 C LIG 1 -4.139 -3.889 0.121 0.00 0.00 +0.188 C ATOM 33 N LIG 1 -4.707 -3.993 1.268 0.00 0.00 -0.269 NA ATOM 34 H LIG 1 -5.331 -3.199 1.422 0.00 0.00 +0.190 HD BRANCH 32 35 ATOM 35 N LIG 1 -3.283 -4.848 -0.270 0.00 0.00 -0.370 N ATOM 36 H LIG 1 -3.499 -5.199 -1.195 0.00 0.00 +0.159 HD ATOM 37 H LIG 1 -3.317 -5.610 0.403 0.00 0.00 +0.159 HD ENDBRANCH 32 35 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 5 29 TORSDOF 10