REMARK Name = BDB056100 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.625 -0.892 -1.435 0.00 0.00 -0.328 N ATOM 2 H LIG 1 -0.249 0.040 -1.562 0.00 0.00 +0.147 HD ENDROOT BRANCH 1 7 ATOM 3 C LIG 1 3.721 -0.894 -0.408 0.00 0.00 +0.138 A ATOM 4 O LIG 1 3.565 -2.028 0.339 0.00 0.00 -0.437 OA ATOM 5 C LIG 1 2.256 -2.393 0.274 0.00 0.00 +0.233 A ATOM 6 C LIG 1 1.553 -1.492 -0.510 0.00 0.00 +0.080 A ATOM 7 C LIG 1 0.181 -1.728 -0.671 0.00 0.00 +0.133 A ATOM 8 N LIG 1 -0.344 -2.817 -0.059 0.00 0.00 -0.220 NA ATOM 9 C LIG 1 0.462 -3.614 0.670 0.00 0.00 +0.227 A ATOM 10 N LIG 1 1.772 -3.474 0.897 0.00 0.00 -0.200 NA ATOM 11 C LIG 1 2.503 -0.531 -0.951 0.00 0.00 +0.063 A BRANCH 3 15 ATOM 12 C LIG 1 7.689 0.733 -0.591 0.00 0.00 +0.121 A ATOM 13 C LIG 1 7.434 -0.412 0.160 0.00 0.00 +0.046 A ATOM 14 C LIG 1 6.138 -0.942 0.219 0.00 0.00 +0.015 A ATOM 15 C LIG 1 5.073 -0.342 -0.470 0.00 0.00 +0.018 A ATOM 16 C LIG 1 5.343 0.808 -1.222 0.00 0.00 +0.015 A ATOM 17 C LIG 1 6.638 1.338 -1.280 0.00 0.00 +0.046 A BRANCH 12 18 ATOM 18 O LIG 1 8.899 1.352 -0.734 0.00 0.00 -0.491 OA BRANCH 18 19 ATOM 19 C LIG 1 10.014 0.769 -0.053 0.00 0.00 +0.244 C BRANCH 19 20 ATOM 20 C LIG 1 11.258 1.624 -0.358 0.00 0.00 +0.124 C BRANCH 20 22 ATOM 21 C LIG 1 12.984 -0.096 -0.231 0.00 0.00 +0.104 C ATOM 22 N LIG 1 12.538 1.212 0.241 0.00 0.00 -0.305 NA ATOM 23 C LIG 1 12.520 1.267 1.700 0.00 0.00 +0.104 C ENDBRANCH 20 22 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 12 18 ENDBRANCH 3 15 ENDBRANCH 1 7 BRANCH 1 24 ATOM 24 C LIG 1 -2.070 -0.967 -1.244 0.00 0.00 +0.107 C BRANCH 24 25 ATOM 25 C LIG 1 -2.507 -0.301 0.067 0.00 0.00 +0.054 C BRANCH 25 26 ATOM 26 C LIG 1 -4.007 -0.310 0.228 0.00 0.00 -0.046 A ATOM 27 C LIG 1 -4.772 0.798 -0.149 0.00 0.00 +0.005 A ATOM 28 C LIG 1 -6.166 0.780 -0.018 0.00 0.00 +0.023 A ATOM 29 C LIG 1 -6.817 -0.347 0.483 0.00 0.00 +0.035 A ATOM 30 C LIG 1 -6.050 -1.455 0.864 0.00 0.00 +0.023 A ATOM 31 C LIG 1 -4.658 -1.440 0.734 0.00 0.00 +0.005 A BRANCH 29 32 ATOM 32 N LIG 1 -8.214 -0.439 0.655 0.00 0.00 -0.269 N ATOM 33 H LIG 1 -8.556 -1.319 1.008 0.00 0.00 +0.156 HD ATOM 34 C LIG 1 -9.182 0.450 0.207 0.00 0.00 +0.308 C ATOM 35 N LIG 1 -10.429 0.074 0.690 0.00 0.00 -0.269 N ATOM 36 H LIG 1 -10.424 -0.576 1.460 0.00 0.00 +0.156 HD ATOM 37 O LIG 1 -8.968 1.420 -0.507 0.00 0.00 -0.252 OA BRANCH 35 38 ATOM 38 C LIG 1 -11.680 0.644 0.376 0.00 0.00 +0.035 A ATOM 39 C LIG 1 -12.786 0.213 1.121 0.00 0.00 +0.023 A ATOM 40 C LIG 1 -14.062 0.722 0.865 0.00 0.00 +0.002 A ATOM 41 C LIG 1 -14.246 1.664 -0.143 0.00 0.00 +0.000 A ATOM 42 C LIG 1 -13.155 2.092 -0.895 0.00 0.00 +0.002 A ATOM 43 C LIG 1 -11.877 1.583 -0.638 0.00 0.00 +0.023 A ENDBRANCH 35 38 ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 11