REMARK Name = BDB062892 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -2.053 -1.825 1.023 0.00 0.00 +0.213 C ENDROOT BRANCH 1 4 ATOM 2 C LIG 1 1.448 -0.243 0.829 0.00 0.00 -0.032 A ATOM 3 C LIG 1 0.087 -0.431 1.117 0.00 0.00 +0.011 A ATOM 4 C LIG 1 -0.578 -1.611 0.735 0.00 0.00 -0.016 A ATOM 5 C LIG 1 0.139 -2.591 0.032 0.00 0.00 +0.006 A ATOM 6 C LIG 1 1.489 -2.407 -0.267 0.00 0.00 +0.001 A ATOM 7 C LIG 1 2.140 -1.240 0.129 0.00 0.00 +0.005 A BRANCH 2 8 ATOM 8 C LIG 1 2.160 1.024 1.235 0.00 0.00 +0.141 C BRANCH 8 9 ATOM 9 N LIG 1 2.359 1.890 0.082 0.00 0.00 -0.186 NA ATOM 10 H LIG 1 1.554 2.170 -0.472 0.00 0.00 +0.148 HD BRANCH 9 11 ATOM 11 S LIG 1 3.611 2.992 0.111 0.00 0.00 +0.059 S ATOM 12 O LIG 1 3.771 3.447 1.474 0.00 0.00 -0.153 OA ATOM 13 O LIG 1 3.372 3.912 -0.979 0.00 0.00 -0.153 OA BRANCH 11 17 ATOM 14 C LIG 1 7.196 0.336 -1.059 0.00 0.00 +0.029 A ATOM 15 C LIG 1 6.185 0.680 -1.979 0.00 0.00 +0.025 A ATOM 16 C LIG 1 5.100 1.496 -1.631 0.00 0.00 +0.030 A ATOM 17 C LIG 1 4.994 1.978 -0.331 0.00 0.00 +0.105 A ATOM 18 C LIG 1 5.965 1.663 0.612 0.00 0.00 +0.030 A ATOM 19 C LIG 1 7.043 0.845 0.246 0.00 0.00 +0.025 A BRANCH 14 21 ATOM 20 C LIG 1 9.410 -0.606 -0.509 0.00 0.00 +0.129 C ATOM 21 N LIG 1 8.264 -0.499 -1.411 0.00 0.00 -0.336 N ATOM 22 C LIG 1 8.562 -0.703 -2.829 0.00 0.00 +0.129 C ENDBRANCH 14 21 ENDBRANCH 11 17 ENDBRANCH 9 11 ENDBRANCH 8 9 ENDBRANCH 2 8 ENDBRANCH 1 4 BRANCH 1 23 ATOM 23 N LIG 1 -2.851 -1.002 0.119 0.00 0.00 -0.295 N ATOM 24 H LIG 1 -2.571 -0.037 0.001 0.00 0.00 +0.150 HD ATOM 25 C LIG 1 -4.151 -1.345 -0.165 0.00 0.00 +0.246 C ATOM 26 O LIG 1 -4.681 -2.386 0.194 0.00 0.00 -0.270 OA BRANCH 25 27 ATOM 27 C LIG 1 -4.895 -0.348 -0.957 0.00 0.00 +0.045 A ATOM 28 C LIG 1 -6.078 0.231 -0.517 0.00 0.00 +0.006 A ATOM 29 C LIG 1 -6.854 0.139 0.712 0.00 0.00 -0.006 A ATOM 30 C LIG 1 -7.986 0.970 0.606 0.00 0.00 +0.030 A ATOM 31 C LIG 1 -7.943 1.626 -0.713 0.00 0.00 +0.194 C ATOM 32 O LIG 1 -8.745 2.417 -1.161 0.00 0.00 -0.287 OA ATOM 33 C LIG 1 -8.931 1.121 1.604 0.00 0.00 +0.012 A ATOM 34 C LIG 1 -8.730 0.401 2.779 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -7.606 -0.431 2.920 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -6.662 -0.563 1.890 0.00 0.00 +0.009 A ATOM 37 C LIG 1 -6.721 1.139 -1.382 0.00 0.00 +0.031 A ATOM 38 C LIG 1 -6.246 1.498 -2.632 0.00 0.00 +0.012 A ATOM 39 C LIG 1 -5.055 0.915 -3.054 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -4.384 -0.001 -2.227 0.00 0.00 +0.014 A ENDBRANCH 25 27 ENDBRANCH 1 23 BRANCH 1 41 ATOM 41 C LIG 1 -2.417 -1.496 2.480 0.00 0.00 +0.330 C ATOM 42 O LIG 1 -2.865 -0.436 2.897 0.00 0.00 -0.249 OA BRANCH 41 43 ATOM 43 OXT LIG 1 -2.147 -2.502 3.340 0.00 0.00 -0.479 OA ATOM 44 HXT LIG 1 -2.420 -2.155 4.215 0.00 0.00 +0.295 HD ENDBRANCH 41 43 ENDBRANCH 1 41 TORSDOF 10