REMARK Name = BDB024478 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.590 1.361 0.885 0.00 0.00 +0.263 C ATOM 2 N LIG 1 -0.346 2.138 1.532 0.00 0.00 -0.308 N ATOM 3 H LIG 1 -0.184 2.325 2.519 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 0.553 1.107 -0.312 0.00 0.00 -0.269 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 3.622 -0.406 2.103 0.00 0.00 +0.123 A ATOM 6 N LIG 1 3.604 -0.074 3.403 0.00 0.00 -0.221 NA ATOM 7 C LIG 1 2.606 0.716 3.824 0.00 0.00 +0.224 A ATOM 8 N LIG 1 1.622 1.209 3.068 0.00 0.00 -0.231 NA ATOM 9 C LIG 1 1.679 0.837 1.767 0.00 0.00 +0.130 A ATOM 10 C LIG 1 2.654 0.026 1.229 0.00 0.00 +0.076 A BRANCH 5 11 ATOM 11 N LIG 1 4.660 -1.246 1.723 0.00 0.00 -0.326 N ATOM 12 H LIG 1 5.229 -1.389 2.558 0.00 0.00 +0.148 HD BRANCH 11 18 ATOM 13 C LIG 1 9.919 0.900 -1.439 0.00 0.00 +0.109 C ATOM 14 C LIG 1 9.201 -0.425 -1.507 0.00 0.00 +0.212 C ATOM 15 N LIG 1 7.993 -0.533 -0.816 0.00 0.00 -0.302 N ATOM 16 C LIG 1 7.223 0.635 -0.389 0.00 0.00 +0.109 C ATOM 17 C LIG 1 6.328 0.333 0.806 0.00 0.00 +0.041 C ATOM 18 C LIG 1 5.454 -0.897 0.541 0.00 0.00 +0.075 C ATOM 19 C LIG 1 6.349 -2.089 0.193 0.00 0.00 +0.041 C ATOM 20 C LIG 1 7.237 -1.770 -1.001 0.00 0.00 +0.109 C ATOM 21 O LIG 1 9.692 -1.359 -2.141 0.00 0.00 -0.276 OA ENDBRANCH 11 18 ENDBRANCH 5 11 ENDBRANCH 1 9 BRANCH 2 22 ATOM 22 C LIG 1 -1.449 2.792 0.847 0.00 0.00 +0.137 C BRANCH 22 23 ATOM 23 C LIG 1 -2.746 1.961 0.858 0.00 0.00 +0.145 C BRANCH 23 24 ATOM 24 O LIG 1 -3.042 1.610 2.219 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 -2.294 1.062 2.520 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 -2.652 0.696 -0.035 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 -3.901 -0.031 -0.343 0.00 0.00 -0.293 NA ATOM 28 C LIG 1 -4.760 0.707 -1.282 0.00 0.00 +0.138 C ATOM 29 C LIG 1 -6.032 -0.029 -1.556 0.00 0.00 +0.034 A ATOM 30 C LIG 1 -6.953 0.097 -2.575 0.00 0.00 +0.032 A ATOM 31 C LIG 1 -8.004 -0.833 -2.334 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -7.695 -1.516 -1.155 0.00 0.00 +0.049 A ATOM 33 C LIG 1 -8.527 -2.518 -0.634 0.00 0.00 +0.026 A ATOM 34 C LIG 1 -9.701 -2.822 -1.331 0.00 0.00 +0.002 A ATOM 35 C LIG 1 -10.032 -2.152 -2.505 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -9.193 -1.156 -3.018 0.00 0.00 +0.010 A ATOM 37 N LIG 1 -6.498 -1.004 -0.707 0.00 0.00 -0.341 N ATOM 38 C LIG 1 -5.760 -1.440 0.466 0.00 0.00 +0.137 C ATOM 39 C LIG 1 -4.662 -0.438 0.846 0.00 0.00 +0.106 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 2 22 TORSDOF 8