REMARK Name = BDB038964 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.280 -0.010 1.013 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.209 0.846 0.827 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.991 0.275 0.266 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.780 1.168 0.350 0.00 0.00 +0.001 A ATOM 5 C LIG 1 2.857 2.487 0.857 0.00 0.00 -0.039 A ATOM 6 C LIG 1 1.713 3.293 0.940 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.465 2.840 0.503 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.405 1.545 -0.019 0.00 0.00 +0.070 A ATOM 9 N LIG 1 -0.625 0.766 -0.505 0.00 0.00 -0.311 N ATOM 10 C LIG 1 -0.084 -0.423 -0.951 0.00 0.00 +0.199 A ATOM 11 N LIG 1 1.184 -0.502 -0.627 0.00 0.00 -0.214 NA ATOM 12 C LIG 1 4.175 3.010 1.374 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.521 0.718 -0.099 0.00 0.00 +0.096 A ATOM 14 C LIG 1 5.361 2.292 0.735 0.00 0.00 +0.116 C ATOM 15 O LIG 1 6.216 -1.226 0.876 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 N LIG 1 -0.854 -1.395 -1.513 0.00 0.00 -0.301 N ATOM 17 C LIG 1 -1.230 -1.152 -2.921 0.00 0.00 +0.108 C ATOM 18 C LIG 1 -2.360 -2.102 -3.315 0.00 0.00 +0.019 C ATOM 19 C LIG 1 -1.958 -3.558 -3.092 0.00 0.00 +0.003 C ATOM 20 C LIG 1 -1.451 -3.770 -1.668 0.00 0.00 +0.019 C ATOM 21 C LIG 1 -0.347 -2.772 -1.319 0.00 0.00 +0.108 C ENDBRANCH 10 16 BRANCH 1 23 ATOM 22 C LIG 1 8.545 -0.209 1.577 0.00 0.00 +0.282 C ATOM 23 O LIG 1 7.420 0.645 1.367 0.00 0.00 -0.454 OA ENDBRANCH 1 23 BRANCH 9 24 ATOM 24 C LIG 1 -2.042 1.078 -0.402 0.00 0.00 +0.133 C BRANCH 24 25 ATOM 25 C LIG 1 -2.824 0.129 0.536 0.00 0.00 +0.049 C BRANCH 25 26 ATOM 26 C LIG 1 -4.314 0.442 0.486 0.00 0.00 -0.042 A ATOM 27 C LIG 1 -5.218 -0.553 0.080 0.00 0.00 +0.004 A ATOM 28 C LIG 1 -6.587 -0.289 0.019 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -7.072 0.969 0.365 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -6.189 1.964 0.776 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -4.819 1.704 0.839 0.00 0.00 +0.004 A ENDBRANCH 25 26 BRANCH 25 32 ATOM 32 C LIG 1 -2.290 0.145 1.980 0.00 0.00 +0.130 C BRANCH 32 33 ATOM 33 C LIG 1 -2.184 -1.260 2.516 0.00 0.00 +0.305 C ATOM 34 O LIG 1 -3.029 -1.784 3.226 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 -1.064 -1.908 2.128 0.00 0.00 -0.481 OA ATOM 36 H LIG 1 -0.463 -1.403 1.541 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 25 32 ENDBRANCH 24 25 ENDBRANCH 9 24 TORSDOF 8