REMARK Name = BDB016700 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.913 -1.608 1.446 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -3.106 -0.288 1.894 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -2.057 0.629 1.766 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -0.812 0.299 1.243 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -0.055 1.512 1.307 0.00 0.00 +0.093 A ATOM 6 N LIG 1 -0.794 2.522 1.790 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -0.612 -1.022 0.801 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -1.976 1.957 2.074 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -2.703 2.542 2.471 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -1.658 -1.951 0.916 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -5.663 0.368 -1.779 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -5.005 -0.635 -1.053 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -5.708 -1.369 -0.109 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -5.333 -2.490 0.819 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -4.022 -2.628 1.566 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -6.628 -2.831 1.522 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -7.591 -1.962 1.043 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -8.550 -1.989 1.352 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -6.770 -3.711 2.354 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -4.356 -3.555 0.414 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -7.070 -1.097 0.079 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -7.752 -0.121 -0.617 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -7.030 0.621 -1.558 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -5.463 2.079 -3.424 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -4.866 1.028 -2.675 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 1.303 1.724 0.901 0.00 0.00 +0.031 C ATOM 27 C LIG 1 2.303 0.828 0.949 0.00 0.00 +0.010 C BRANCH 27 28 ATOM 28 C LIG 1 3.682 1.117 0.532 0.00 0.00 -0.025 A ATOM 29 C LIG 1 4.404 0.131 -0.151 0.00 0.00 +0.012 A ATOM 30 C LIG 1 5.732 0.354 -0.549 0.00 0.00 -0.041 A ATOM 31 C LIG 1 6.497 -0.736 -1.258 0.00 0.00 +0.051 C ATOM 32 C LIG 1 7.814 -0.236 -1.872 0.00 0.00 +0.089 C ATOM 33 N LIG 1 8.586 0.665 -1.005 0.00 0.00 -0.301 NA ATOM 34 C LIG 1 7.781 1.855 -0.679 0.00 0.00 +0.119 C ATOM 35 C LIG 1 9.082 -0.002 0.197 0.00 0.00 +0.105 C ATOM 36 C LIG 1 6.363 1.569 -0.230 0.00 0.00 -0.030 A ATOM 37 C LIG 1 5.641 2.552 0.458 0.00 0.00 +0.006 A ATOM 38 C LIG 1 4.316 2.325 0.843 0.00 0.00 +0.008 A ENDBRANCH 27 28 ENDBRANCH 5 26 TORSDOF 4