REMARK Name = BDB016739 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.503 1.894 -0.439 0.00 0.00 +0.100 A ATOM 2 C LIG 1 1.502 1.142 -1.137 0.00 0.00 +0.027 A ATOM 3 C LIG 1 2.714 1.635 -0.674 0.00 0.00 +0.067 A ATOM 4 C LIG 1 3.954 1.155 -1.110 0.00 0.00 +0.031 A ATOM 5 C LIG 1 3.983 0.113 -2.056 0.00 0.00 -0.041 A ATOM 6 C LIG 1 2.760 -0.369 -2.552 0.00 0.00 +0.005 A ATOM 7 N LIG 1 2.385 2.616 0.218 0.00 0.00 -0.276 N ATOM 8 H LIG 1 3.019 3.200 0.751 0.00 0.00 +0.189 HD ATOM 9 C LIG 1 1.523 0.126 -2.109 0.00 0.00 +0.012 A ATOM 10 N LIG 1 1.067 2.800 0.378 0.00 0.00 -0.173 NA ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 5.302 -0.433 -2.552 0.00 0.00 +0.040 C ATOM 12 C LIG 1 6.280 -1.142 -1.637 0.00 0.00 +0.081 C ATOM 13 C LIG 1 6.090 -1.393 -0.167 0.00 0.00 -0.011 A ATOM 14 C LIG 1 7.339 -1.243 0.457 0.00 0.00 +0.038 A ATOM 15 C LIG 1 7.539 -1.403 1.812 0.00 0.00 +0.023 A ATOM 16 C LIG 1 6.426 -1.736 2.584 0.00 0.00 +0.002 A ATOM 17 C LIG 1 5.163 -1.903 1.988 0.00 0.00 +0.000 A ATOM 18 N LIG 1 8.305 -0.929 -0.502 0.00 0.00 -0.284 N ATOM 19 H LIG 1 9.286 -0.786 -0.323 0.00 0.00 +0.155 HD ATOM 20 C LIG 1 4.992 -1.736 0.608 0.00 0.00 +0.006 A ATOM 21 C LIG 1 7.760 -0.865 -1.772 0.00 0.00 +0.228 C ATOM 22 O LIG 1 8.340 -0.628 -2.818 0.00 0.00 -0.274 OA ATOM 23 C LIG 1 5.530 -1.927 -2.674 0.00 0.00 +0.031 C ENDBRANCH 5 11 BRANCH 1 27 ATOM 24 C LIG 1 -3.744 1.587 -0.689 0.00 0.00 +0.037 A ATOM 25 C LIG 1 -3.135 2.844 -0.680 0.00 0.00 +0.014 A ATOM 26 C LIG 1 -1.744 2.937 -0.589 0.00 0.00 +0.011 A ATOM 27 C LIG 1 -0.952 1.779 -0.532 0.00 0.00 +0.003 A ATOM 28 C LIG 1 -1.575 0.522 -0.559 0.00 0.00 +0.011 A ATOM 29 C LIG 1 -2.967 0.424 -0.645 0.00 0.00 +0.014 A BRANCH 24 35 ATOM 30 C LIG 1 -7.653 -1.682 2.948 0.00 0.00 +0.105 C ATOM 31 N LIG 1 -7.659 -0.373 2.301 0.00 0.00 -0.302 NA ATOM 32 C LIG 1 -7.916 -0.507 0.851 0.00 0.00 +0.103 C ATOM 33 C LIG 1 -7.368 0.664 0.018 0.00 0.00 +0.123 C ATOM 34 N LIG 1 -5.920 0.804 0.175 0.00 0.00 -0.295 N ATOM 35 C LIG 1 -5.217 1.508 -0.796 0.00 0.00 +0.247 C ATOM 36 O LIG 1 -5.754 2.068 -1.748 0.00 0.00 -0.270 OA ATOM 37 C LIG 1 -5.370 0.383 1.471 0.00 0.00 +0.123 C ATOM 38 C LIG 1 -6.433 0.396 2.588 0.00 0.00 +0.103 C ENDBRANCH 24 35 ENDBRANCH 1 27 TORSDOF 3