REMARK Name = BDB062884 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -1.645 -2.163 0.721 0.00 0.00 +0.213 C ENDROOT BRANCH 1 4 ATOM 2 C LIG 1 1.228 -0.144 2.295 0.00 0.00 -0.032 A ATOM 3 C LIG 1 0.440 -0.823 1.353 0.00 0.00 +0.011 A ATOM 4 C LIG 1 -0.761 -1.452 1.730 0.00 0.00 -0.016 A ATOM 5 C LIG 1 -1.170 -1.372 3.071 0.00 0.00 +0.006 A ATOM 6 C LIG 1 -0.390 -0.703 4.014 0.00 0.00 +0.001 A ATOM 7 C LIG 1 0.804 -0.097 3.629 0.00 0.00 +0.005 A BRANCH 2 8 ATOM 8 C LIG 1 2.526 0.514 1.892 0.00 0.00 +0.141 C BRANCH 8 9 ATOM 9 N LIG 1 3.663 -0.202 2.450 0.00 0.00 -0.186 NA ATOM 10 H LIG 1 3.638 -1.217 2.493 0.00 0.00 +0.148 HD BRANCH 9 11 ATOM 11 S LIG 1 5.182 0.493 2.397 0.00 0.00 +0.059 S ATOM 12 O LIG 1 6.111 -0.500 2.889 0.00 0.00 -0.153 OA ATOM 13 O LIG 1 5.076 1.777 3.050 0.00 0.00 -0.153 OA BRANCH 11 19 ATOM 14 C LIG 1 6.162 1.138 -3.626 0.00 0.00 +0.044 C ATOM 15 C LIG 1 5.888 0.982 -2.158 0.00 0.00 -0.050 A ATOM 16 C LIG 1 5.615 2.098 -1.366 0.00 0.00 +0.008 A ATOM 17 C LIG 1 5.394 1.987 0.021 0.00 0.00 -0.024 A ATOM 18 C LIG 1 5.118 3.268 0.762 0.00 0.00 +0.046 C ATOM 19 C LIG 1 5.457 0.705 0.624 0.00 0.00 +0.111 A ATOM 20 C LIG 1 5.745 -0.436 -0.171 0.00 0.00 -0.024 A ATOM 21 C LIG 1 5.883 -1.835 0.372 0.00 0.00 +0.046 C ATOM 22 C LIG 1 5.967 -0.271 -1.551 0.00 0.00 +0.008 A ENDBRANCH 11 19 ENDBRANCH 9 11 ENDBRANCH 8 9 ENDBRANCH 2 8 ENDBRANCH 1 4 BRANCH 1 23 ATOM 23 N LIG 1 -2.359 -1.176 -0.082 0.00 0.00 -0.295 N ATOM 24 H LIG 1 -1.833 -0.384 -0.424 0.00 0.00 +0.150 HD ATOM 25 C LIG 1 -3.557 -1.494 -0.675 0.00 0.00 +0.246 C ATOM 26 O LIG 1 -4.182 -2.522 -0.463 0.00 0.00 -0.270 OA BRANCH 25 27 ATOM 27 C LIG 1 -4.047 -0.501 -1.647 0.00 0.00 +0.045 A ATOM 28 C LIG 1 -5.236 0.191 -1.468 0.00 0.00 +0.006 A ATOM 29 C LIG 1 -6.241 0.214 -0.415 0.00 0.00 -0.006 A ATOM 30 C LIG 1 -7.246 1.138 -0.757 0.00 0.00 +0.030 A ATOM 31 C LIG 1 -6.888 1.733 -2.058 0.00 0.00 +0.194 C ATOM 32 O LIG 1 -7.509 2.575 -2.671 0.00 0.00 -0.287 OA ATOM 33 C LIG 1 -8.348 1.407 0.034 0.00 0.00 +0.012 A ATOM 34 C LIG 1 -8.450 0.710 1.235 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -7.462 -0.219 1.606 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -6.352 -0.470 0.785 0.00 0.00 +0.009 A ATOM 37 C LIG 1 -5.614 1.109 -2.466 0.00 0.00 +0.031 A ATOM 38 C LIG 1 -4.877 1.362 -3.612 0.00 0.00 +0.012 A ATOM 39 C LIG 1 -3.689 0.655 -3.778 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -3.275 -0.271 -2.805 0.00 0.00 +0.014 A ENDBRANCH 25 27 ENDBRANCH 1 23 BRANCH 1 41 ATOM 41 C LIG 1 -0.847 -3.086 -0.214 0.00 0.00 +0.330 C ATOM 42 O LIG 1 -0.386 -2.787 -1.309 0.00 0.00 -0.249 OA BRANCH 41 43 ATOM 43 OXT LIG 1 -0.629 -4.314 0.302 0.00 0.00 -0.479 OA ATOM 44 HXT LIG 1 -0.135 -4.792 -0.396 0.00 0.00 +0.295 HD ENDBRANCH 41 43 ENDBRANCH 1 41 TORSDOF 9