REMARK Name = BDB037140 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.183 -2.874 0.229 0.00 0.00 +0.263 C ATOM 2 N LIG 1 0.085 -2.783 -0.362 0.00 0.00 -0.181 N ATOM 3 H LIG 1 0.441 -1.872 -0.643 0.00 0.00 +0.177 HD ATOM 4 O LIG 1 -1.535 -3.802 0.940 0.00 0.00 -0.269 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 -4.085 -0.490 0.585 0.00 0.00 +0.126 A ATOM 6 C LIG 1 -3.893 0.409 -0.473 0.00 0.00 +0.016 A ATOM 7 C LIG 1 -2.788 0.223 -1.318 0.00 0.00 +0.010 A ATOM 8 C LIG 1 -1.901 -0.839 -1.114 0.00 0.00 +0.013 A ATOM 9 C LIG 1 -2.105 -1.736 -0.057 0.00 0.00 +0.042 A ATOM 10 C LIG 1 -3.212 -1.563 0.783 0.00 0.00 +0.059 A BRANCH 5 12 ATOM 11 C LIG 1 -4.835 -0.061 2.733 0.00 0.00 +0.277 C ATOM 12 O LIG 1 -5.191 -0.342 1.378 0.00 0.00 -0.495 OA ENDBRANCH 5 12 BRANCH 6 13 ATOM 13 C LIG 1 -4.824 1.579 -0.683 0.00 0.00 +0.182 C BRANCH 13 14 ATOM 14 N LIG 1 -4.326 2.780 -0.022 0.00 0.00 -0.267 N ATOM 15 N LIG 1 -4.753 3.110 1.216 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 -4.117 4.254 1.478 0.00 0.00 +0.134 A ATOM 17 C LIG 1 -3.301 4.671 0.412 0.00 0.00 +0.041 A ATOM 18 C LIG 1 -3.464 3.704 -0.551 0.00 0.00 +0.108 A ENDBRANCH 13 14 ENDBRANCH 6 13 ENDBRANCH 1 9 BRANCH 2 19 ATOM 19 S LIG 1 1.305 -3.879 -0.038 0.00 0.00 +0.078 S ATOM 20 O LIG 1 1.761 -3.684 1.322 0.00 0.00 -0.150 OA ATOM 21 O LIG 1 0.915 -5.173 -0.553 0.00 0.00 -0.150 OA BRANCH 19 22 ATOM 22 C LIG 1 2.624 -3.287 -1.074 0.00 0.00 +0.150 A ATOM 23 C LIG 1 2.962 -1.932 -1.079 0.00 0.00 +0.148 A ATOM 24 C LIG 1 3.974 -1.470 -1.921 0.00 0.00 +0.048 A ATOM 25 C LIG 1 4.675 -2.371 -2.725 0.00 0.00 +0.004 A ATOM 26 C LIG 1 4.351 -3.729 -2.703 0.00 0.00 +0.002 A ATOM 27 C LIG 1 3.322 -4.190 -1.882 0.00 0.00 +0.032 A BRANCH 23 28 ATOM 28 O LIG 1 2.247 -1.034 -0.334 0.00 0.00 -0.484 OA BRANCH 28 29 ATOM 29 C LIG 1 2.983 -0.609 0.832 0.00 0.00 +0.284 C BRANCH 29 30 ATOM 30 C LIG 1 3.514 0.804 0.696 0.00 0.00 +0.078 A ATOM 31 N LIG 1 2.933 1.632 -0.212 0.00 0.00 -0.256 NA ATOM 32 C LIG 1 3.400 2.897 -0.292 0.00 0.00 +0.111 A ATOM 33 C LIG 1 4.426 3.391 0.496 0.00 0.00 +0.020 A ATOM 34 C LIG 1 5.007 2.539 1.426 0.00 0.00 +0.003 A ATOM 35 C LIG 1 4.545 1.230 1.534 0.00 0.00 +0.027 A ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 23 28 ENDBRANCH 19 22 ENDBRANCH 2 19 TORSDOF 9