REMARK Name = BDB011929 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.712 -0.910 0.127 0.00 0.00 +0.177 C ATOM 2 C LIG 1 0.144 -0.593 -1.261 0.00 0.00 +0.242 C ATOM 3 O LIG 1 0.681 -1.068 -2.271 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -1.079 0.062 -1.324 0.00 0.00 -0.262 N ATOM 5 C LIG 1 -1.303 1.405 -0.825 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -0.323 2.150 -0.113 0.00 0.00 +0.059 A ATOM 7 C LIG 1 -0.542 3.517 0.165 0.00 0.00 +0.044 A ATOM 8 C LIG 1 -1.727 4.153 -0.204 0.00 0.00 +0.054 A ATOM 9 C LIG 1 -2.719 3.419 -0.839 0.00 0.00 +0.021 A ATOM 10 N LIG 1 0.832 1.535 0.475 0.00 0.00 -0.266 N ATOM 11 C LIG 1 2.067 2.180 0.473 0.00 0.00 +0.241 C ATOM 12 O LIG 1 2.276 3.218 -0.167 0.00 0.00 -0.273 OA ATOM 13 C LIG 1 -2.509 2.068 -1.140 0.00 0.00 +0.026 A ATOM 14 C LIG 1 0.550 0.236 1.107 0.00 0.00 +0.145 C ENDROOT BRANCH 1 16 ATOM 15 C LIG 1 2.761 -2.101 0.876 0.00 0.00 +0.230 C ATOM 16 N LIG 1 2.110 -1.310 -0.046 0.00 0.00 -0.301 N ATOM 17 H LIG 1 2.511 -1.243 -0.980 0.00 0.00 +0.150 HD ATOM 18 O LIG 1 2.257 -2.392 1.957 0.00 0.00 -0.274 OA BRANCH 15 19 ATOM 19 C LIG 1 4.162 -2.567 0.412 0.00 0.00 +0.137 C ATOM 20 C LIG 1 4.828 -3.416 1.494 0.00 0.00 +0.034 C BRANCH 19 22 ATOM 21 C LIG 1 6.079 -1.672 -0.799 0.00 0.00 +0.101 C ATOM 22 N LIG 1 4.958 -1.361 0.079 0.00 0.00 -0.309 NA ATOM 23 H LIG 1 5.319 -0.961 0.948 0.00 0.00 +0.122 HD ENDBRANCH 19 22 ENDBRANCH 15 19 ENDBRANCH 1 16 BRANCH 8 24 ATOM 24 C LIG 1 -1.932 5.539 0.101 0.00 0.00 +0.099 C ATOM 25 N LIG 1 -2.110 6.660 0.343 0.00 0.00 -0.191 NA ENDBRANCH 8 24 BRANCH 4 26 ATOM 26 C LIG 1 -2.050 -0.580 -2.217 0.00 0.00 +0.171 C BRANCH 26 27 ATOM 27 C LIG 1 -3.150 -1.212 -1.410 0.00 0.00 +0.088 A ATOM 28 C LIG 1 -4.537 -1.254 -1.727 0.00 0.00 +0.024 A ATOM 29 C LIG 1 -5.127 -1.939 -0.668 0.00 0.00 +0.069 A ATOM 30 C LIG 1 -6.505 -2.185 -0.604 0.00 0.00 +0.028 A ATOM 31 C LIG 1 -7.294 -1.713 -1.658 0.00 0.00 +0.002 A ATOM 32 C LIG 1 -6.727 -1.026 -2.730 0.00 0.00 +0.001 A ATOM 33 N LIG 1 -4.092 -2.259 0.175 0.00 0.00 -0.266 N ATOM 34 C LIG 1 -4.194 -2.978 1.423 0.00 0.00 +0.173 C ATOM 35 C LIG 1 -5.348 -0.789 -2.780 0.00 0.00 +0.012 A ATOM 36 N LIG 1 -2.886 -1.840 -0.252 0.00 0.00 -0.174 NA ENDBRANCH 26 27 ENDBRANCH 4 26 BRANCH 11 37 ATOM 37 C LIG 1 3.211 1.605 1.252 0.00 0.00 +0.261 C BRANCH 37 38 ATOM 38 S LIG 1 3.422 2.520 2.750 0.00 0.00 -0.025 S ATOM 39 O LIG 1 4.620 2.003 3.390 0.00 0.00 -0.174 OA ATOM 40 O LIG 1 2.159 2.520 3.466 0.00 0.00 -0.174 OA ATOM 41 C LIG 1 3.777 4.190 2.250 0.00 0.00 +0.194 C ENDBRANCH 37 38 ENDBRANCH 11 37 TORSDOF 8