REMARK Name = BDB036150 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.922 -0.436 0.541 0.00 0.00 -0.311 N ATOM 2 C LIG 1 -0.913 0.311 -0.173 0.00 0.00 +0.115 C ATOM 3 C LIG 1 0.151 -0.210 0.810 0.00 0.00 +0.004 C ATOM 4 C LIG 1 1.043 -1.345 0.302 0.00 0.00 +0.025 C ATOM 5 C LIG 1 2.108 -0.782 -0.639 0.00 0.00 +0.085 C ATOM 6 N LIG 1 2.922 0.255 0.027 0.00 0.00 -0.302 NA ATOM 7 C LIG 1 2.070 1.365 0.488 0.00 0.00 +0.085 C ATOM 8 C LIG 1 1.004 0.873 1.470 0.00 0.00 +0.025 C ATOM 9 C LIG 1 -1.039 -0.677 1.663 0.00 0.00 +0.115 C ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -3.817 -1.977 0.527 0.00 0.00 +0.186 A ATOM 11 C LIG 1 -2.637 -1.513 -0.051 0.00 0.00 +0.167 A ATOM 12 N LIG 1 -2.117 -2.098 -1.155 0.00 0.00 -0.217 NA ATOM 13 C LIG 1 -2.770 -3.160 -1.651 0.00 0.00 +0.223 A ATOM 14 N LIG 1 -3.870 -3.723 -1.137 0.00 0.00 -0.240 NA ATOM 15 C LIG 1 -4.367 -3.105 -0.049 0.00 0.00 +0.162 A BRANCH 10 16 ATOM 16 O LIG 1 -4.453 -1.480 1.636 0.00 0.00 -0.450 OA BRANCH 16 18 ATOM 17 C LIG 1 -5.304 0.664 0.772 0.00 0.00 +0.082 A ATOM 18 C LIG 1 -4.639 -0.121 1.724 0.00 0.00 +0.141 A ATOM 19 C LIG 1 -4.185 0.477 2.907 0.00 0.00 +0.050 A ATOM 20 C LIG 1 -4.320 1.853 3.097 0.00 0.00 +0.042 A ATOM 21 C LIG 1 -4.927 2.626 2.112 0.00 0.00 +0.124 A ATOM 22 F LIG 1 -5.052 3.946 2.297 0.00 0.00 -0.205 F ATOM 23 C LIG 1 -5.424 2.048 0.953 0.00 0.00 +0.055 A BRANCH 17 25 ATOM 24 N LIG 1 -7.211 -0.436 -0.355 0.00 0.00 -0.295 N ATOM 25 C LIG 1 -5.923 0.105 -0.441 0.00 0.00 +0.250 C ATOM 26 O LIG 1 -5.279 0.210 -1.480 0.00 0.00 -0.270 OA BRANCH 24 27 ATOM 27 C LIG 1 -7.880 -0.922 -1.580 0.00 0.00 +0.070 C ATOM 28 C LIG 1 -7.154 -2.100 -2.230 0.00 0.00 +0.028 C ATOM 29 C LIG 1 -8.139 0.203 -2.583 0.00 0.00 +0.028 C ENDBRANCH 24 27 BRANCH 24 31 ATOM 30 C LIG 1 -8.082 -1.877 1.469 0.00 0.00 +0.024 C ATOM 31 C LIG 1 -8.002 -0.476 0.882 0.00 0.00 +0.105 C ENDBRANCH 24 31 ENDBRANCH 17 25 ENDBRANCH 16 18 ENDBRANCH 10 16 ENDBRANCH 1 11 BRANCH 6 32 ATOM 32 C LIG 1 3.983 0.715 -0.891 0.00 0.00 +0.088 C BRANCH 32 33 ATOM 33 C LIG 1 5.074 1.576 -0.215 0.00 0.00 +0.006 C ATOM 34 C LIG 1 6.177 2.031 -1.210 0.00 0.00 -0.006 C ATOM 35 C LIG 1 7.076 0.848 -1.626 0.00 0.00 +0.015 C ATOM 36 C LIG 1 7.762 0.223 -0.373 0.00 0.00 +0.018 C ATOM 37 C LIG 1 7.273 0.971 0.894 0.00 0.00 -0.001 C ATOM 38 C LIG 1 7.644 2.464 0.793 0.00 0.00 +0.004 C ATOM 39 C LIG 1 9.284 0.230 -0.523 0.00 0.00 +0.131 C ATOM 40 C LIG 1 9.541 -1.024 -1.303 0.00 0.00 +0.308 C ATOM 41 O LIG 1 10.562 -1.280 -1.919 0.00 0.00 -0.251 OA ATOM 42 O LIG 1 8.472 -1.866 -1.197 0.00 0.00 -0.464 OA ATOM 43 C LIG 1 7.515 -1.284 -0.311 0.00 0.00 +0.239 C ATOM 44 C LIG 1 7.066 3.066 -0.493 0.00 0.00 +0.004 C ATOM 45 C LIG 1 5.737 0.868 0.989 0.00 0.00 +0.009 C ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 8