REMARK Name = BDB023863 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.739 -0.364 0.577 0.00 0.00 +0.122 A ATOM 2 N LIG 1 1.516 -0.915 0.704 0.00 0.00 -0.240 NA ATOM 3 C LIG 1 0.461 -0.315 0.098 0.00 0.00 +0.122 A ATOM 4 C LIG 1 0.523 0.868 -0.648 0.00 0.00 +0.010 A ATOM 5 C LIG 1 1.802 1.441 -0.766 0.00 0.00 -0.013 A ATOM 6 C LIG 1 1.963 2.631 -1.496 0.00 0.00 +0.009 A ATOM 7 C LIG 1 0.875 3.254 -2.104 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -0.396 2.698 -1.988 0.00 0.00 +0.011 A ATOM 9 C LIG 1 -0.585 1.512 -1.263 0.00 0.00 +0.012 A ATOM 10 C LIG 1 2.898 0.814 -0.149 0.00 0.00 +0.052 A ENDROOT BRANCH 9 11 ATOM 11 C LIG 1 -1.940 0.984 -1.148 0.00 0.00 +0.098 A ATOM 12 C LIG 1 -3.047 1.573 -0.487 0.00 0.00 +0.018 A ATOM 13 C LIG 1 -3.159 2.842 0.277 0.00 0.00 +0.146 C ATOM 14 N LIG 1 -4.472 2.925 0.949 0.00 0.00 -0.297 N ATOM 15 C LIG 1 -5.638 2.360 0.236 0.00 0.00 +0.114 C ATOM 16 C LIG 1 -5.456 0.874 -0.140 0.00 0.00 +0.074 C ATOM 17 C LIG 1 -4.719 3.825 1.980 0.00 0.00 +0.213 C ATOM 18 O LIG 1 -5.853 4.073 2.392 0.00 0.00 -0.276 OA ATOM 19 C LIG 1 -3.525 4.498 2.609 0.00 0.00 +0.109 C ATOM 20 C LIG 1 -4.086 0.687 -0.679 0.00 0.00 +0.046 A ATOM 21 N LIG 1 -3.583 -0.361 -1.388 0.00 0.00 -0.264 N ATOM 22 N LIG 1 -2.279 -0.194 -1.694 0.00 0.00 -0.170 NA BRANCH 21 23 ATOM 23 C LIG 1 -4.264 -1.589 -1.788 0.00 0.00 +0.112 C ATOM 24 C LIG 1 -3.833 -2.762 -0.897 0.00 0.00 +0.055 C ATOM 25 C LIG 1 -4.122 -4.080 -1.595 0.00 0.00 +0.162 C ATOM 26 O LIG 1 -3.463 -4.219 -2.853 0.00 0.00 -0.380 OA ATOM 27 C LIG 1 -3.049 -2.998 -3.470 0.00 0.00 +0.162 C ATOM 28 C LIG 1 -4.082 -1.899 -3.282 0.00 0.00 +0.055 C ENDBRANCH 21 23 ENDBRANCH 9 11 BRANCH 1 31 ATOM 29 C LIG 1 5.902 -1.629 1.973 0.00 0.00 +0.094 C ATOM 30 C LIG 1 5.194 -0.647 1.040 0.00 0.00 +0.119 C ATOM 31 N LIG 1 3.790 -0.985 1.202 0.00 0.00 -0.314 N ATOM 32 C LIG 1 3.615 -2.323 1.761 0.00 0.00 +0.107 C ATOM 33 C LIG 1 5.037 -2.879 1.843 0.00 0.00 +0.033 C BRANCH 29 37 ATOM 34 C LIG 1 9.545 -0.751 1.486 0.00 0.00 +0.128 C ATOM 35 N LIG 1 8.124 -0.698 1.729 0.00 0.00 -0.318 N ATOM 36 H LIG 1 7.782 0.036 2.336 0.00 0.00 +0.148 HD ATOM 37 C LIG 1 7.346 -1.828 1.568 0.00 0.00 +0.217 C ATOM 38 O LIG 1 7.790 -2.892 1.150 0.00 0.00 -0.275 OA ENDBRANCH 29 37 ENDBRANCH 1 31 TORSDOF 4