REMARK Name = BDB055026 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 S LIG 1 -2.567 3.766 0.214 0.00 0.00 -0.048 S ENDROOT BRANCH 1 8 ATOM 2 C LIG 1 -3.880 0.715 -1.816 0.00 0.00 +0.153 A ATOM 3 C LIG 1 -3.822 1.246 -3.153 0.00 0.00 +0.105 A ATOM 4 N LIG 1 -3.411 2.534 -3.317 0.00 0.00 -0.234 N ATOM 5 C LIG 1 -3.442 2.856 -4.648 0.00 0.00 +0.113 A ATOM 6 C LIG 1 -3.875 1.750 -5.348 0.00 0.00 +0.022 A ATOM 7 N LIG 1 -3.026 3.345 -2.328 0.00 0.00 -0.139 NA ATOM 8 C LIG 1 -3.082 2.790 -1.160 0.00 0.00 +0.214 A ATOM 9 C LIG 1 -4.114 0.724 -4.398 0.00 0.00 +0.033 A ATOM 10 N LIG 1 -3.507 1.520 -0.868 0.00 0.00 -0.203 NA BRANCH 2 11 ATOM 11 N LIG 1 -4.315 -0.575 -1.607 0.00 0.00 -0.281 N ATOM 12 H LIG 1 -4.524 -1.133 -2.422 0.00 0.00 +0.155 HD BRANCH 11 18 ATOM 13 C LIG 1 -4.357 -1.917 3.194 0.00 0.00 +0.065 C ATOM 14 C LIG 1 -4.408 -1.794 1.722 0.00 0.00 +0.035 A ATOM 15 N LIG 1 -4.700 -2.847 0.904 0.00 0.00 -0.280 N ATOM 16 H LIG 1 -4.910 -3.804 1.167 0.00 0.00 +0.189 HD ATOM 17 N LIG 1 -4.727 -2.526 -0.398 0.00 0.00 -0.158 NA ATOM 18 C LIG 1 -4.402 -1.228 -0.432 0.00 0.00 +0.146 A ATOM 19 C LIG 1 -4.213 -0.725 0.876 0.00 0.00 +0.068 A ENDBRANCH 11 18 ENDBRANCH 2 11 ENDBRANCH 1 8 BRANCH 1 20 ATOM 20 C LIG 1 -0.945 3.075 0.451 0.00 0.00 +0.016 A ATOM 21 C LIG 1 0.161 3.643 -0.182 0.00 0.00 +0.017 A ATOM 22 C LIG 1 1.436 3.098 0.006 0.00 0.00 +0.024 A ATOM 23 C LIG 1 1.625 1.983 0.836 0.00 0.00 +0.033 A ATOM 24 C LIG 1 0.515 1.419 1.466 0.00 0.00 +0.024 A ATOM 25 C LIG 1 -0.761 1.962 1.276 0.00 0.00 +0.017 A BRANCH 23 26 ATOM 26 N LIG 1 2.944 1.504 0.977 0.00 0.00 -0.284 N ATOM 27 H LIG 1 3.646 1.999 0.440 0.00 0.00 +0.155 HD ATOM 28 C LIG 1 3.385 0.458 1.778 0.00 0.00 +0.231 C ATOM 29 O LIG 1 2.682 -0.238 2.506 0.00 0.00 -0.274 OA BRANCH 28 30 ATOM 30 C LIG 1 4.904 0.232 1.664 0.00 0.00 +0.180 C BRANCH 30 31 ATOM 31 N LIG 1 5.296 -1.092 1.166 0.00 0.00 -0.291 NA ATOM 32 C LIG 1 4.589 -1.550 -0.036 0.00 0.00 +0.116 C ATOM 33 C LIG 1 5.121 -2.980 -0.146 0.00 0.00 +0.130 C ATOM 34 C LIG 1 5.245 -3.450 1.302 0.00 0.00 +0.048 C ATOM 35 C LIG 1 5.149 -2.174 2.142 0.00 0.00 +0.087 C BRANCH 33 36 ATOM 36 O LIG 1 6.420 -2.965 -0.748 0.00 0.00 -0.390 OA ATOM 37 H LIG 1 6.927 -2.297 -0.248 0.00 0.00 +0.210 HD ENDBRANCH 33 36 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 23 26 ENDBRANCH 1 20 TORSDOF 8