REMARK Name = BDB052549 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.090 1.083 2.228 0.00 0.00 -0.016 A ATOM 2 C LIG 1 -1.232 0.258 2.246 0.00 0.00 +0.036 A ATOM 3 C LIG 1 -1.869 -0.074 3.450 0.00 0.00 +0.066 A ATOM 4 C LIG 1 -1.333 0.397 4.658 0.00 0.00 +0.028 A ATOM 5 C LIG 1 -0.205 1.215 4.656 0.00 0.00 +0.003 A ATOM 6 C LIG 1 0.407 1.559 3.451 0.00 0.00 +0.008 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 2.587 1.491 -0.435 0.00 0.00 +0.121 A ATOM 8 C LIG 1 1.945 1.183 0.770 0.00 0.00 +0.054 A ATOM 9 C LIG 1 0.573 1.424 0.958 0.00 0.00 -0.014 A ATOM 10 C LIG 1 -0.143 1.997 -0.102 0.00 0.00 +0.009 A ATOM 11 C LIG 1 0.492 2.320 -1.303 0.00 0.00 +0.004 A ATOM 12 C LIG 1 1.855 2.070 -1.468 0.00 0.00 +0.046 A BRANCH 7 13 ATOM 13 O LIG 1 3.922 1.200 -0.454 0.00 0.00 -0.489 OA BRANCH 13 15 ATOM 14 C LIG 1 5.274 2.502 -1.971 0.00 0.00 +0.052 C ATOM 15 C LIG 1 4.609 1.151 -1.710 0.00 0.00 +0.173 C BRANCH 15 16 ATOM 16 C LIG 1 5.651 0.003 -1.654 0.00 0.00 +0.029 C ATOM 17 C LIG 1 6.722 0.202 -0.558 0.00 0.00 +0.007 C ATOM 18 C LIG 1 7.372 -1.101 -0.083 0.00 0.00 +0.000 C ATOM 19 C LIG 1 7.372 -2.168 -1.167 0.00 0.00 +0.000 C ATOM 20 C LIG 1 5.953 -2.521 -1.613 0.00 0.00 +0.000 C ATOM 21 C LIG 1 4.963 -1.360 -1.477 0.00 0.00 +0.007 C ENDBRANCH 15 16 ENDBRANCH 13 15 ENDBRANCH 7 13 ENDBRANCH 1 9 BRANCH 3 22 ATOM 22 N LIG 1 -3.019 -0.917 3.483 0.00 0.00 -0.236 N ATOM 23 C LIG 1 -3.887 -1.286 2.463 0.00 0.00 +0.063 A ATOM 24 C LIG 1 -4.662 -2.327 2.951 0.00 0.00 +0.100 A ATOM 25 C LIG 1 -4.334 -2.372 4.318 0.00 0.00 +0.150 A ATOM 26 N LIG 1 -3.396 -1.490 4.660 0.00 0.00 -0.174 NA BRANCH 23 27 ATOM 27 C LIG 1 -4.053 -0.643 1.044 0.00 0.00 +0.048 C ATOM 28 C LIG 1 -5.390 -0.020 0.687 0.00 0.00 +0.051 C ATOM 29 C LIG 1 -4.194 0.854 0.927 0.00 0.00 +0.020 C BRANCH 28 30 ATOM 30 C LIG 1 -5.934 -0.156 -0.752 0.00 0.00 +0.087 A ATOM 31 N LIG 1 -5.936 -1.312 -1.475 0.00 0.00 -0.134 NA ATOM 32 N LIG 1 -6.497 -1.054 -2.650 0.00 0.00 -0.066 NA ATOM 33 N LIG 1 -6.840 0.246 -2.653 0.00 0.00 -0.254 N ATOM 34 C LIG 1 -7.479 0.820 -3.806 0.00 0.00 +0.174 C ATOM 35 C LIG 1 -6.511 0.855 -1.480 0.00 0.00 +0.133 A ENDBRANCH 28 30 ENDBRANCH 23 27 BRANCH 24 36 ATOM 36 C LIG 1 -5.630 -3.160 2.280 0.00 0.00 +0.340 C ATOM 37 O LIG 1 -6.465 -3.853 2.842 0.00 0.00 -0.245 OA BRANCH 36 38 ATOM 38 O LIG 1 -5.533 -3.158 0.938 0.00 0.00 -0.477 OA ATOM 39 H LIG 1 -6.257 -3.730 0.617 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 24 36 ENDBRANCH 3 22 TORSDOF 9