REMARK Name = BDB039179 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.282 -1.745 -1.344 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.147 -2.104 -0.637 0.00 0.00 -0.263 N ATOM 3 C LIG 1 4.157 -1.060 -0.392 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.835 -1.558 0.135 0.00 0.00 +0.001 A ATOM 5 C LIG 1 2.614 -2.923 0.432 0.00 0.00 -0.039 A ATOM 6 C LIG 1 1.374 -3.358 0.918 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.323 -2.465 1.144 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.553 -1.115 0.853 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.236 0.019 0.923 0.00 0.00 -0.327 N ATOM 10 C LIG 1 0.558 1.109 0.605 0.00 0.00 +0.114 A ATOM 11 N LIG 1 1.755 0.700 0.226 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 3.709 -3.927 0.173 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.775 -0.660 0.376 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.090 -3.280 0.220 0.00 0.00 +0.116 C ATOM 15 O LIG 1 6.434 -0.661 -1.895 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 0.213 2.574 0.719 0.00 0.00 +0.056 C ATOM 17 C LIG 1 -1.008 3.023 -0.088 0.00 0.00 +0.026 C ATOM 18 C LIG 1 -1.151 4.559 -0.102 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -0.662 5.216 1.200 0.00 0.00 +0.015 C ATOM 20 C LIG 1 -0.735 4.266 2.389 0.00 0.00 +0.001 C ATOM 21 C LIG 1 0.149 3.035 2.186 0.00 0.00 +0.011 C BRANCH 18 22 ATOM 22 C LIG 1 -0.442 5.175 -1.291 0.00 0.00 +0.308 C ATOM 23 O LIG 1 0.274 4.613 -2.100 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 -0.699 6.493 -1.413 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 -0.191 6.756 -2.210 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 18 22 ENDBRANCH 10 16 BRANCH 1 27 ATOM 26 C LIG 1 8.402 -2.400 -2.092 0.00 0.00 +0.282 C ATOM 27 O LIG 1 7.220 -2.733 -1.364 0.00 0.00 -0.454 OA ENDBRANCH 1 27 BRANCH 9 28 ATOM 28 C LIG 1 -1.633 0.024 1.327 0.00 0.00 +0.127 C BRANCH 28 29 ATOM 29 C LIG 1 -2.630 -0.101 0.153 0.00 0.00 +0.009 C ATOM 30 C LIG 1 -4.047 0.339 0.586 0.00 0.00 +0.008 C ATOM 31 C LIG 1 -4.966 -0.847 0.864 0.00 0.00 +0.032 C ATOM 32 C LIG 1 -5.160 -1.720 -0.386 0.00 0.00 +0.118 C ATOM 33 C LIG 1 -3.904 -1.756 -1.272 0.00 0.00 +0.032 C ATOM 34 C LIG 1 -2.635 -1.513 -0.464 0.00 0.00 +0.008 C BRANCH 32 35 ATOM 35 O LIG 1 -6.268 -1.185 -1.120 0.00 0.00 -0.380 OA ATOM 36 C LIG 1 -6.789 -2.085 -2.089 0.00 0.00 +0.194 C ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 9 28 TORSDOF 7