REMARK Name = BDB019816 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.748 0.811 -0.487 0.00 0.00 +0.222 A ATOM 2 N LIG 1 -2.030 0.405 -0.398 0.00 0.00 -0.199 NA ATOM 3 C LIG 1 -3.031 1.183 -0.851 0.00 0.00 +0.138 A ATOM 4 N LIG 1 -4.383 0.716 -0.790 0.00 0.00 -0.295 N ATOM 5 C LIG 1 -4.657 -0.455 0.154 0.00 0.00 +0.052 C ATOM 6 C LIG 1 -3.743 -1.686 -0.169 0.00 0.00 +0.027 C ATOM 7 C LIG 1 -4.448 -3.041 -0.131 0.00 0.00 +0.002 C ATOM 8 C LIG 1 -5.598 -3.097 -1.133 0.00 0.00 +0.000 C ATOM 9 C LIG 1 -6.381 -1.788 -1.203 0.00 0.00 +0.002 C ATOM 10 C LIG 1 -6.147 -0.938 0.041 0.00 0.00 +0.027 C ATOM 11 C LIG 1 -4.441 0.072 1.612 0.00 0.00 +0.130 C ATOM 12 N LIG 1 -5.083 1.363 1.882 0.00 0.00 -0.312 N ATOM 13 H LIG 1 -4.991 1.741 2.818 0.00 0.00 +0.149 HD ATOM 14 C LIG 1 -5.219 2.348 0.922 0.00 0.00 +0.234 C ATOM 15 O LIG 1 -5.346 3.521 1.259 0.00 0.00 -0.274 OA ATOM 16 C LIG 1 -5.299 1.869 -0.549 0.00 0.00 +0.169 C ATOM 17 C LIG 1 -5.176 2.967 -1.591 0.00 0.00 +0.111 C ATOM 18 C LIG 1 -3.753 3.336 -1.851 0.00 0.00 +0.170 C ATOM 19 O LIG 1 -3.443 4.358 -2.458 0.00 0.00 -0.292 OA ATOM 20 C LIG 1 -2.720 2.416 -1.391 0.00 0.00 +0.076 A ATOM 21 C LIG 1 -1.393 2.775 -1.451 0.00 0.00 +0.129 A ATOM 22 N LIG 1 -0.397 1.990 -1.006 0.00 0.00 -0.222 NA ENDROOT BRANCH 1 23 ATOM 23 N LIG 1 0.188 -0.079 0.004 0.00 0.00 -0.268 N ATOM 24 H LIG 1 -0.225 -0.933 0.341 0.00 0.00 +0.156 HD BRANCH 23 28 ATOM 25 C LIG 1 4.359 -0.285 0.450 0.00 0.00 +0.048 A ATOM 26 C LIG 1 3.437 -1.269 0.811 0.00 0.00 +0.136 A ATOM 27 N LIG 1 2.085 -1.198 0.664 0.00 0.00 -0.238 NA ATOM 28 C LIG 1 1.565 -0.080 0.120 0.00 0.00 +0.125 A ATOM 29 C LIG 1 2.389 0.960 -0.273 0.00 0.00 +0.045 A ATOM 30 C LIG 1 3.777 0.853 -0.108 0.00 0.00 +0.028 A BRANCH 25 35 ATOM 31 C LIG 1 9.829 -0.375 0.270 0.00 0.00 +0.105 C ATOM 32 N LIG 1 8.672 -0.715 1.093 0.00 0.00 -0.302 NA ATOM 33 C LIG 1 7.827 -1.719 0.413 0.00 0.00 +0.103 C ATOM 34 C LIG 1 6.352 -1.724 0.876 0.00 0.00 +0.120 C ATOM 35 N LIG 1 5.724 -0.416 0.618 0.00 0.00 -0.326 N ATOM 36 C LIG 1 6.621 0.752 0.624 0.00 0.00 +0.120 C ATOM 37 C LIG 1 7.891 0.483 1.467 0.00 0.00 +0.103 C ENDBRANCH 25 35 ENDBRANCH 23 28 ENDBRANCH 1 23 TORSDOF 3