REMARK Name = BDB035941 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.138 0.636 1.295 0.00 0.00 +0.192 A ATOM 2 C LIG 1 1.036 0.347 0.566 0.00 0.00 +0.106 A ATOM 3 C LIG 1 1.237 1.464 -0.221 0.00 0.00 +0.173 A ATOM 4 C LIG 1 2.304 1.621 -1.115 0.00 0.00 +0.061 A ATOM 5 C LIG 1 3.245 0.571 -1.217 0.00 0.00 +0.028 A ATOM 6 C LIG 1 3.041 -0.574 -0.440 0.00 0.00 +0.009 A ATOM 7 C LIG 1 3.862 -1.808 -0.310 0.00 0.00 +0.080 C ATOM 8 C LIG 1 2.869 -2.708 0.422 0.00 0.00 +0.234 C ATOM 9 O LIG 1 1.916 -1.884 1.130 0.00 0.00 -0.491 OA ATOM 10 O LIG 1 0.241 2.358 0.019 0.00 0.00 -0.353 OA ATOM 11 C LIG 1 1.959 -0.685 0.435 0.00 0.00 +0.139 A ATOM 12 N LIG 1 -0.627 1.837 0.967 0.00 0.00 -0.060 NA ENDROOT BRANCH 5 13 ATOM 13 C LIG 1 4.381 0.723 -2.124 0.00 0.00 +0.135 A ATOM 14 O LIG 1 5.477 -0.054 -1.873 0.00 0.00 -0.463 OA ATOM 15 C LIG 1 6.415 0.248 -2.805 0.00 0.00 +0.196 A ATOM 16 C LIG 1 5.946 1.215 -3.661 0.00 0.00 +0.042 A ATOM 17 C LIG 1 4.636 1.525 -3.221 0.00 0.00 +0.050 A ENDBRANCH 5 13 BRANCH 1 18 ATOM 18 N LIG 1 -0.707 -0.233 2.214 0.00 0.00 -0.196 N ATOM 19 H LIG 1 -0.337 -1.180 2.274 0.00 0.00 +0.175 HD BRANCH 18 20 ATOM 20 S LIG 1 -2.249 -0.068 2.837 0.00 0.00 +0.081 S ATOM 21 O LIG 1 -2.271 1.166 3.594 0.00 0.00 -0.150 OA ATOM 22 O LIG 1 -2.554 -1.329 3.489 0.00 0.00 -0.150 OA BRANCH 20 24 ATOM 23 C LIG 1 -3.165 -0.917 0.393 0.00 0.00 +0.150 A ATOM 24 C LIG 1 -3.301 0.034 1.415 0.00 0.00 +0.191 A ATOM 25 C LIG 1 -4.272 1.032 1.293 0.00 0.00 +0.150 A ATOM 26 C LIG 1 -5.082 1.087 0.151 0.00 0.00 +0.048 A ATOM 27 C LIG 1 -4.907 0.171 -0.884 0.00 0.00 +0.007 A ATOM 28 C LIG 1 -3.945 -0.829 -0.766 0.00 0.00 +0.048 A BRANCH 23 30 ATOM 29 C LIG 1 -2.853 -3.184 0.686 0.00 0.00 +0.277 C ATOM 30 O LIG 1 -2.227 -1.915 0.474 0.00 0.00 -0.493 OA ENDBRANCH 23 30 BRANCH 25 31 ATOM 31 O LIG 1 -4.551 1.899 2.312 0.00 0.00 -0.493 OA ATOM 32 C LIG 1 -4.079 3.215 2.015 0.00 0.00 +0.277 C ENDBRANCH 25 31 ENDBRANCH 20 24 ENDBRANCH 18 20 ENDBRANCH 1 18 TORSDOF 6