REMARK Name = BDB031818 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.924 -0.843 2.223 0.00 0.00 -0.041 A ATOM 2 C LIG 1 1.395 0.390 2.647 0.00 0.00 +0.031 A ATOM 3 C LIG 1 0.151 0.794 2.145 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -0.599 0.031 1.262 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.772 0.808 0.994 0.00 0.00 +0.152 A ATOM 6 N LIG 1 -1.740 1.963 1.668 0.00 0.00 -0.158 NA ATOM 7 C LIG 1 -0.093 -1.219 0.862 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -0.593 1.919 2.357 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -0.368 2.703 2.958 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 1.154 -1.636 1.353 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 3.935 -0.353 -1.915 0.00 0.00 +0.120 A ATOM 12 C LIG 1 3.775 -0.299 -0.526 0.00 0.00 +0.052 A ATOM 13 C LIG 1 4.409 -1.251 0.263 0.00 0.00 -0.007 A ATOM 14 C LIG 1 4.443 -1.502 1.746 0.00 0.00 +0.081 C ATOM 15 C LIG 1 3.278 -1.321 2.699 0.00 0.00 +0.040 C ATOM 16 C LIG 1 5.359 -2.696 1.894 0.00 0.00 +0.228 C ATOM 17 N LIG 1 5.762 -3.060 0.622 0.00 0.00 -0.284 N ATOM 18 H LIG 1 6.384 -3.834 0.448 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 5.668 -3.220 2.951 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 4.463 -0.377 2.739 0.00 0.00 +0.031 C ATOM 21 C LIG 1 5.215 -2.222 -0.352 0.00 0.00 +0.038 A ATOM 22 C LIG 1 5.411 -2.292 -1.713 0.00 0.00 +0.027 A ATOM 23 C LIG 1 4.756 -1.339 -2.497 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 2.347 1.373 -2.307 0.00 0.00 +0.277 C ATOM 25 O LIG 1 3.352 0.500 -2.815 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -2.734 0.365 0.151 0.00 0.00 -0.295 N ATOM 27 H LIG 1 -2.613 -0.546 -0.284 0.00 0.00 +0.154 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.962 0.919 -0.290 0.00 0.00 +0.075 A ATOM 29 C LIG 1 -4.740 0.166 -1.203 0.00 0.00 +0.141 A ATOM 30 C LIG 1 -5.962 0.664 -1.666 0.00 0.00 +0.048 A ATOM 31 C LIG 1 -6.420 1.910 -1.234 0.00 0.00 +0.007 A ATOM 32 C LIG 1 -5.660 2.675 -0.346 0.00 0.00 -0.048 A ATOM 33 C LIG 1 -6.165 3.999 0.147 0.00 0.00 +0.044 C ATOM 34 C LIG 1 -4.442 2.166 0.128 0.00 0.00 +0.030 A BRANCH 29 35 ATOM 35 O LIG 1 -4.196 -1.048 -1.565 0.00 0.00 -0.493 OA ATOM 36 C LIG 1 -4.941 -1.840 -2.480 0.00 0.00 +0.277 C ENDBRANCH 29 35 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 5