REMARK Name = BDB028379 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.881 -0.770 0.737 0.00 0.00 -0.014 A ATOM 2 C LIG 1 1.848 -0.553 -0.258 0.00 0.00 +0.019 A ATOM 3 C LIG 1 2.754 0.511 -0.142 0.00 0.00 +0.012 A ATOM 4 C LIG 1 2.694 1.348 0.969 0.00 0.00 +0.050 A ATOM 5 C LIG 1 3.648 2.463 1.081 0.00 0.00 +0.272 A ATOM 6 N LIG 1 4.548 2.593 0.053 0.00 0.00 -0.242 N ATOM 7 H LIG 1 5.214 3.358 0.113 0.00 0.00 +0.192 HD ATOM 8 N LIG 1 4.633 1.796 -1.046 0.00 0.00 -0.174 NA ATOM 9 O LIG 1 3.631 3.223 2.042 0.00 0.00 -0.266 OA ATOM 10 C LIG 1 1.740 1.134 1.968 0.00 0.00 +0.014 A ATOM 11 C LIG 1 3.795 0.804 -1.160 0.00 0.00 +0.083 A ATOM 12 C LIG 1 0.839 0.075 1.852 0.00 0.00 +0.009 A ENDROOT BRANCH 1 16 ATOM 13 C LIG 1 -3.266 -3.518 0.451 0.00 0.00 +0.173 C ATOM 14 N LIG 1 -1.892 -3.070 0.480 0.00 0.00 -0.266 N ATOM 15 C LIG 1 -1.436 -1.792 0.725 0.00 0.00 +0.077 A ATOM 16 C LIG 1 -0.054 -1.872 0.599 0.00 0.00 +0.027 A ATOM 17 C LIG 1 0.201 -3.227 0.292 0.00 0.00 +0.143 A ATOM 18 N LIG 1 -0.911 -3.957 0.223 0.00 0.00 -0.179 NA BRANCH 15 19 ATOM 19 C LIG 1 -2.318 -0.664 1.003 0.00 0.00 +0.006 A ATOM 20 C LIG 1 -2.548 0.334 0.066 0.00 0.00 -0.007 A ATOM 21 C LIG 1 -2.005 0.497 -1.307 0.00 0.00 +0.196 C ATOM 22 O LIG 1 -2.772 1.583 -1.879 0.00 0.00 -0.371 OA ATOM 23 C LIG 1 -3.421 2.323 -0.820 0.00 0.00 +0.195 C ATOM 24 C LIG 1 -3.382 1.409 0.348 0.00 0.00 -0.016 A ATOM 25 C LIG 1 -4.016 1.529 1.573 0.00 0.00 +0.006 A ATOM 26 C LIG 1 -3.803 0.534 2.527 0.00 0.00 +0.001 A ATOM 27 C LIG 1 -2.961 -0.555 2.245 0.00 0.00 +0.010 A ENDBRANCH 15 19 ENDBRANCH 1 16 BRANCH 11 28 ATOM 28 C LIG 1 3.882 -0.100 -2.394 0.00 0.00 +0.136 C BRANCH 28 29 ATOM 29 N LIG 1 4.964 0.330 -3.287 0.00 0.00 -0.325 NA ATOM 30 H LIG 1 4.802 1.314 -3.516 0.00 0.00 +0.119 HD ATOM 31 H LIG 1 5.825 0.363 -2.736 0.00 0.00 +0.119 HD ENDBRANCH 28 29 ENDBRANCH 11 28 TORSDOF 4