REMARK Name = BDB016513 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.494 1.506 -1.442 0.00 0.00 +0.172 C ATOM 2 N LIG 1 -2.559 2.010 -0.464 0.00 0.00 -0.272 N ATOM 3 N LIG 1 -2.703 1.660 0.825 0.00 0.00 -0.165 NA ATOM 4 C LIG 1 -1.695 2.304 1.456 0.00 0.00 +0.168 A ATOM 5 C LIG 1 -1.434 2.106 2.890 0.00 0.00 +0.266 C ATOM 6 N LIG 1 -1.451 0.803 3.367 0.00 0.00 -0.305 N ATOM 7 H LIG 1 -1.295 0.732 4.364 0.00 0.00 +0.149 HD ATOM 8 C LIG 1 -1.228 -0.376 2.531 0.00 0.00 +0.105 C ATOM 9 C LIG 1 -2.439 -1.320 2.432 0.00 0.00 +0.152 C ATOM 10 C LIG 1 -2.143 -2.354 1.337 0.00 0.00 +0.144 C ATOM 11 N LIG 1 -0.807 -2.960 1.371 0.00 0.00 -0.265 N ATOM 12 C LIG 1 -0.545 -3.816 0.292 0.00 0.00 +0.403 C ATOM 13 O LIG 1 0.787 -3.999 0.092 0.00 0.00 -0.448 OA ATOM 14 C LIG 1 1.164 -4.285 -1.263 0.00 0.00 +0.257 C ATOM 15 C LIG 1 2.565 -3.738 -1.522 0.00 0.00 +0.184 C ATOM 16 N LIG 1 2.659 -2.303 -1.301 0.00 0.00 -0.268 N ATOM 17 N LIG 1 3.242 -1.848 -0.175 0.00 0.00 -0.179 NA ATOM 18 C LIG 1 3.100 -0.523 -0.257 0.00 0.00 +0.144 A ATOM 19 C LIG 1 2.465 -0.117 -1.450 0.00 0.00 +0.038 A ATOM 20 C LIG 1 2.136 1.226 -1.879 0.00 0.00 +0.075 A ATOM 21 N LIG 1 1.750 2.059 -0.887 0.00 0.00 -0.242 NA ATOM 22 C LIG 1 1.528 3.360 -1.218 0.00 0.00 +0.126 A ATOM 23 C LIG 1 1.149 4.269 -0.095 0.00 0.00 +0.267 C ATOM 24 N LIG 1 0.195 3.844 0.806 0.00 0.00 -0.277 N ATOM 25 H LIG 1 0.251 4.246 1.738 0.00 0.00 +0.155 HD ATOM 26 O LIG 1 1.760 5.325 0.061 0.00 0.00 -0.268 OA ATOM 27 C LIG 1 1.691 3.870 -2.498 0.00 0.00 +0.033 A ATOM 28 C LIG 1 2.057 2.984 -3.507 0.00 0.00 +0.004 A ATOM 29 C LIG 1 2.281 1.641 -3.198 0.00 0.00 +0.028 A ATOM 30 C LIG 1 2.212 -1.298 -2.120 0.00 0.00 +0.118 A ATOM 31 O LIG 1 -1.403 -4.267 -0.457 0.00 0.00 -0.226 OA ATOM 32 C LIG 1 0.321 -2.183 1.895 0.00 0.00 +0.113 C ATOM 33 C LIG 1 -0.035 -1.200 3.001 0.00 0.00 +0.044 C ATOM 34 O LIG 1 -1.163 3.037 3.646 0.00 0.00 -0.268 OA ATOM 35 C LIG 1 -0.907 3.050 0.532 0.00 0.00 +0.084 A ATOM 36 C LIG 1 -1.490 2.820 -0.694 0.00 0.00 +0.132 A ENDROOT BRANCH 9 37 ATOM 37 O LIG 1 -3.648 -0.630 2.108 0.00 0.00 -0.388 OA ATOM 38 H LIG 1 -3.403 0.235 1.708 0.00 0.00 +0.210 HD ENDBRANCH 9 37 TORSDOF 1