REMARK Name = BDB045424 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.674 -4.092 1.260 0.00 0.00 +0.138 C ATOM 2 C LIG 1 2.204 -2.612 1.220 0.00 0.00 +0.079 C ATOM 3 C LIG 1 3.345 -1.758 0.578 0.00 0.00 +0.142 C ATOM 4 C LIG 1 4.188 -2.563 -0.443 0.00 0.00 +0.113 C ATOM 5 N LIG 1 3.449 -3.633 -1.114 0.00 0.00 -0.311 NA ATOM 6 H LIG 1 2.611 -3.236 -1.545 0.00 0.00 +0.122 HD ATOM 7 C LIG 1 3.041 -4.648 -0.134 0.00 0.00 +0.113 C ENDROOT BRANCH 2 8 ATOM 8 C LIG 1 0.834 -2.300 0.601 0.00 0.00 -0.039 A ATOM 9 C LIG 1 -0.004 -3.265 0.027 0.00 0.00 +0.007 A ATOM 10 C LIG 1 -1.253 -2.925 -0.515 0.00 0.00 +0.046 A ATOM 11 C LIG 1 -1.701 -1.609 -0.483 0.00 0.00 +0.121 A ATOM 12 C LIG 1 -0.892 -0.639 0.102 0.00 0.00 +0.046 A ATOM 13 C LIG 1 0.351 -0.979 0.644 0.00 0.00 +0.007 A BRANCH 11 14 ATOM 14 O LIG 1 -2.889 -1.147 -0.974 0.00 0.00 -0.492 OA BRANCH 14 15 ATOM 15 C LIG 1 -3.785 -2.111 -1.526 0.00 0.00 +0.231 C BRANCH 15 16 ATOM 16 C LIG 1 -5.050 -1.394 -1.983 0.00 0.00 +0.069 C BRANCH 16 17 ATOM 17 C LIG 1 -5.785 -0.735 -0.818 0.00 0.00 +0.163 C BRANCH 17 18 ATOM 18 O LIG 1 -7.024 -0.178 -1.264 0.00 0.00 -0.375 OA BRANCH 18 19 ATOM 19 C LIG 1 -6.905 1.155 -1.766 0.00 0.00 +0.195 C BRANCH 19 20 ATOM 20 C LIG 1 -6.873 2.174 -0.653 0.00 0.00 -0.022 A ATOM 21 C LIG 1 -5.940 3.220 -0.672 0.00 0.00 +0.006 A ATOM 22 C LIG 1 -5.926 4.175 0.347 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -6.846 4.097 1.390 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -7.784 3.067 1.416 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -7.799 2.112 0.398 0.00 0.00 +0.006 A ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 11 14 ENDBRANCH 2 8 BRANCH 1 26 ATOM 26 O LIG 1 1.730 -4.949 1.906 0.00 0.00 -0.390 OA ATOM 27 H LIG 1 1.486 -4.534 2.752 0.00 0.00 +0.210 HD ENDBRANCH 1 26 BRANCH 3 28 ATOM 28 O LIG 1 4.260 -1.327 1.606 0.00 0.00 -0.370 OA BRANCH 28 29 ATOM 29 C LIG 1 3.890 -0.109 2.257 0.00 0.00 +0.195 C BRANCH 29 30 ATOM 30 C LIG 1 4.182 1.102 1.406 0.00 0.00 -0.021 A ATOM 31 C LIG 1 5.381 1.198 0.682 0.00 0.00 +0.014 A ATOM 32 C LIG 1 5.671 2.325 -0.104 0.00 0.00 -0.018 A ATOM 33 C LIG 1 4.743 3.388 -0.157 0.00 0.00 -0.018 A ATOM 34 C LIG 1 5.033 4.515 -0.944 0.00 0.00 +0.008 A ATOM 35 C LIG 1 6.223 4.591 -1.669 0.00 0.00 +0.001 A ATOM 36 C LIG 1 7.138 3.544 -1.617 0.00 0.00 +0.001 A ATOM 37 C LIG 1 3.553 3.296 0.581 0.00 0.00 +0.009 A ATOM 38 C LIG 1 6.864 2.417 -0.839 0.00 0.00 +0.008 A ATOM 39 C LIG 1 3.277 2.168 1.357 0.00 0.00 +0.006 A ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 3 28 TORSDOF 12