REMARK Name = BDB037275 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.035 0.424 0.140 0.00 0.00 +0.192 A ATOM 2 C LIG 1 0.288 -0.008 -0.125 0.00 0.00 +0.109 A ATOM 3 C LIG 1 0.616 -0.769 0.980 0.00 0.00 +0.173 A ATOM 4 C LIG 1 1.845 -1.395 1.171 0.00 0.00 +0.059 A ATOM 5 C LIG 1 2.803 -1.239 0.149 0.00 0.00 +0.023 A ATOM 6 C LIG 1 2.489 -0.485 -0.999 0.00 0.00 +0.168 A ATOM 7 O LIG 1 3.464 -0.401 -1.964 0.00 0.00 -0.485 OA ATOM 8 C LIG 1 2.978 0.123 -3.202 0.00 0.00 +0.270 C ATOM 9 C LIG 1 2.088 1.327 -2.956 0.00 0.00 +0.270 C ATOM 10 O LIG 1 0.916 0.933 -2.231 0.00 0.00 -0.484 OA ATOM 11 O LIG 1 -0.441 -0.801 1.833 0.00 0.00 -0.353 OA ATOM 12 C LIG 1 1.241 0.158 -1.142 0.00 0.00 +0.177 A ATOM 13 N LIG 1 -1.484 -0.061 1.301 0.00 0.00 -0.060 NA ENDROOT BRANCH 1 14 ATOM 14 N LIG 1 -1.774 1.217 -0.724 0.00 0.00 -0.196 N ATOM 15 H LIG 1 -1.362 1.519 -1.604 0.00 0.00 +0.175 HD BRANCH 14 16 ATOM 16 S LIG 1 -3.230 1.938 -0.339 0.00 0.00 +0.077 S ATOM 17 O LIG 1 -3.626 2.650 -1.539 0.00 0.00 -0.150 OA ATOM 18 O LIG 1 -3.049 2.638 0.913 0.00 0.00 -0.150 OA BRANCH 16 20 ATOM 19 C LIG 1 -5.252 0.484 0.885 0.00 0.00 +0.147 A ATOM 20 C LIG 1 -4.346 0.572 -0.172 0.00 0.00 +0.150 A ATOM 21 C LIG 1 -4.300 -0.445 -1.140 0.00 0.00 +0.032 A ATOM 22 C LIG 1 -5.151 -1.546 -1.041 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -6.059 -1.630 0.012 0.00 0.00 +0.004 A ATOM 24 C LIG 1 -6.118 -0.612 0.965 0.00 0.00 +0.047 A BRANCH 19 26 ATOM 25 C LIG 1 -4.848 1.133 3.058 0.00 0.00 +0.277 C ATOM 26 O LIG 1 -5.403 1.495 1.791 0.00 0.00 -0.493 OA ENDBRANCH 19 26 ENDBRANCH 16 20 ENDBRANCH 14 16 ENDBRANCH 1 14 BRANCH 5 27 ATOM 27 C LIG 1 4.164 -1.885 0.307 0.00 0.00 +0.182 C BRANCH 27 28 ATOM 28 N LIG 1 5.221 -0.924 0.606 0.00 0.00 -0.267 N ATOM 29 N LIG 1 6.411 -1.024 -0.026 0.00 0.00 -0.179 NA ATOM 30 C LIG 1 7.142 -0.046 0.514 0.00 0.00 +0.134 A ATOM 31 C LIG 1 6.445 0.657 1.512 0.00 0.00 +0.041 A ATOM 32 C LIG 1 5.211 0.054 1.565 0.00 0.00 +0.108 A ENDBRANCH 27 28 ENDBRANCH 5 27 TORSDOF 6