REMARK Name = BDB064280 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.011 -3.541 0.299 0.00 0.00 -0.268 N ATOM 2 H LIG 1 -2.197 -4.471 -0.048 0.00 0.00 +0.156 HD ENDROOT BRANCH 1 6 ATOM 3 C LIG 1 -5.608 -1.526 0.032 0.00 0.00 +0.164 A ATOM 4 C LIG 1 -4.435 -0.865 0.380 0.00 0.00 +0.118 A ATOM 5 N LIG 1 -3.247 -1.512 0.480 0.00 0.00 -0.211 NA ATOM 6 C LIG 1 -3.195 -2.817 0.189 0.00 0.00 +0.221 A ATOM 7 N LIG 1 -4.277 -3.535 -0.146 0.00 0.00 -0.219 NA ATOM 8 C LIG 1 -5.451 -2.872 -0.220 0.00 0.00 +0.162 A BRANCH 4 9 ATOM 9 C LIG 1 -4.353 0.581 0.691 0.00 0.00 +0.005 A ATOM 10 C LIG 1 -5.005 1.548 -0.099 0.00 0.00 +0.027 A ATOM 11 C LIG 1 -4.890 2.911 0.234 0.00 0.00 +0.040 A ATOM 12 C LIG 1 -4.136 3.345 1.326 0.00 0.00 +0.078 A ATOM 13 N LIG 1 -4.117 4.716 1.530 0.00 0.00 -0.247 NA ATOM 14 C LIG 1 -4.841 5.304 0.605 0.00 0.00 +0.157 A ATOM 15 C LIG 1 -3.471 2.384 2.107 0.00 0.00 +0.029 A ATOM 16 S LIG 1 -5.582 4.282 -0.550 0.00 0.00 -0.075 S ATOM 17 C LIG 1 -3.583 1.025 1.780 0.00 0.00 +0.012 A ENDBRANCH 4 9 BRANCH 3 19 ATOM 18 C LIG 1 -7.961 -1.565 -0.324 0.00 0.00 +0.277 C ATOM 19 O LIG 1 -6.782 -0.834 -0.009 0.00 0.00 -0.491 OA ENDBRANCH 3 19 ENDBRANCH 1 6 BRANCH 1 20 ATOM 20 C LIG 1 -0.721 -3.099 -0.037 0.00 0.00 +0.125 A ATOM 21 N LIG 1 -0.524 -1.922 -0.665 0.00 0.00 -0.240 NA ATOM 22 C LIG 1 0.745 -1.546 -0.946 0.00 0.00 +0.117 A ATOM 23 C LIG 1 1.870 -2.297 -0.636 0.00 0.00 -0.015 A ATOM 24 C LIG 1 1.656 -3.518 0.001 0.00 0.00 +0.010 A ATOM 25 C LIG 1 0.356 -3.919 0.304 0.00 0.00 +0.044 A BRANCH 23 26 ATOM 26 C LIG 1 3.253 -1.808 -0.985 0.00 0.00 +0.121 C BRANCH 26 27 ATOM 27 N LIG 1 4.154 -1.713 0.180 0.00 0.00 -0.296 NA ATOM 28 C LIG 1 3.704 -0.695 1.149 0.00 0.00 +0.100 C ATOM 29 C LIG 1 3.725 0.767 0.629 0.00 0.00 +0.100 C ATOM 30 N LIG 1 4.700 1.036 -0.458 0.00 0.00 -0.297 NA ATOM 31 C LIG 1 5.873 0.162 -0.288 0.00 0.00 +0.100 C ATOM 32 C LIG 1 5.523 -1.355 -0.257 0.00 0.00 +0.100 C BRANCH 30 33 ATOM 33 C LIG 1 5.032 2.475 -0.567 0.00 0.00 +0.051 C ATOM 34 C LIG 1 5.997 2.765 -1.728 0.00 0.00 +0.024 C ATOM 35 C LIG 1 3.772 3.330 -0.787 0.00 0.00 +0.024 C ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 1 20 TORSDOF 7