REMARK Name = BDB056293 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.903 1.932 1.081 0.00 0.00 +0.038 A ATOM 2 C LIG 1 0.202 0.726 1.199 0.00 0.00 +0.027 A ATOM 3 C LIG 1 -1.045 0.602 0.578 0.00 0.00 +0.050 A ATOM 4 C LIG 1 -1.606 1.683 -0.104 0.00 0.00 +0.049 A ATOM 5 C LIG 1 -0.911 2.897 -0.198 0.00 0.00 +0.014 A ATOM 6 C LIG 1 0.339 3.024 0.410 0.00 0.00 +0.014 A ENDROOT BRANCH 1 8 ATOM 7 O LIG 1 2.361 3.025 2.508 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 2.227 2.092 1.721 0.00 0.00 +0.247 C ATOM 9 N LIG 1 3.240 1.174 1.416 0.00 0.00 -0.297 N ATOM 10 C LIG 1 4.526 1.396 2.068 0.00 0.00 +0.109 C ATOM 11 C LIG 1 5.366 0.126 2.153 0.00 0.00 +0.038 C ATOM 12 C LIG 1 5.537 -0.537 0.773 0.00 0.00 +0.060 C ATOM 13 C LIG 1 4.134 -0.784 0.183 0.00 0.00 +0.038 C ATOM 14 C LIG 1 3.317 0.502 0.121 0.00 0.00 +0.109 C BRANCH 12 15 ATOM 15 N LIG 1 6.304 -1.798 0.867 0.00 0.00 -0.299 NA ATOM 16 C LIG 1 6.528 -2.445 -0.433 0.00 0.00 +0.085 C ATOM 17 C LIG 1 7.665 -3.424 -0.179 0.00 0.00 +0.017 C ATOM 18 C LIG 1 8.362 -2.916 1.074 0.00 0.00 +0.017 C ATOM 19 C LIG 1 7.653 -1.617 1.421 0.00 0.00 +0.085 C ENDBRANCH 12 15 ENDBRANCH 1 8 BRANCH 3 20 ATOM 20 C LIG 1 -1.770 -0.674 0.689 0.00 0.00 +0.247 C ATOM 21 N LIG 1 -1.302 -1.761 -0.040 0.00 0.00 -0.297 N ATOM 22 C LIG 1 -2.022 -3.023 0.098 0.00 0.00 +0.109 C ATOM 23 C LIG 1 -1.384 -4.166 -0.691 0.00 0.00 +0.038 C ATOM 24 C LIG 1 0.147 -4.106 -0.573 0.00 0.00 +0.060 C ATOM 25 C LIG 1 0.700 -2.751 -1.069 0.00 0.00 +0.038 C ATOM 26 C LIG 1 -0.374 -1.670 -1.161 0.00 0.00 +0.109 C ATOM 27 O LIG 1 -2.718 -0.714 1.468 0.00 0.00 -0.270 OA BRANCH 24 28 ATOM 28 N LIG 1 0.784 -5.295 -1.151 0.00 0.00 -0.299 NA ATOM 29 C LIG 1 0.583 -5.522 -2.580 0.00 0.00 +0.085 C ATOM 30 C LIG 1 1.645 -6.557 -2.946 0.00 0.00 +0.017 C ATOM 31 C LIG 1 2.584 -6.618 -1.747 0.00 0.00 +0.017 C ATOM 32 C LIG 1 2.221 -5.403 -0.912 0.00 0.00 +0.085 C ENDBRANCH 24 28 ENDBRANCH 3 20 BRANCH 4 33 ATOM 33 C LIG 1 -2.865 1.526 -0.850 0.00 0.00 +0.247 C ATOM 34 N LIG 1 -4.013 2.134 -0.351 0.00 0.00 -0.297 N ATOM 35 C LIG 1 -5.270 1.917 -1.046 0.00 0.00 +0.109 C ATOM 36 C LIG 1 -6.122 3.187 -1.097 0.00 0.00 +0.038 C ATOM 37 C LIG 1 -5.913 4.139 0.109 0.00 0.00 +0.060 C ATOM 38 C LIG 1 -5.469 3.293 1.316 0.00 0.00 +0.038 C ATOM 39 C LIG 1 -4.120 2.633 1.021 0.00 0.00 +0.109 C ATOM 40 O LIG 1 -2.801 0.899 -1.904 0.00 0.00 -0.270 OA BRANCH 37 41 ATOM 41 N LIG 1 -7.124 4.945 0.413 0.00 0.00 -0.299 NA ATOM 42 C LIG 1 -6.849 6.047 1.358 0.00 0.00 +0.085 C ATOM 43 C LIG 1 -6.362 7.222 0.519 0.00 0.00 +0.017 C ATOM 44 C LIG 1 -6.845 6.926 -0.892 0.00 0.00 +0.017 C ATOM 45 C LIG 1 -7.679 5.664 -0.751 0.00 0.00 +0.085 C ENDBRANCH 37 41 ENDBRANCH 4 33 TORSDOF 6