REMARK Name = BDB062886 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 2.698 -0.218 1.283 0.00 0.00 +0.213 C ENDROOT BRANCH 1 4 ATOM 2 C LIG 1 -0.916 0.582 0.216 0.00 0.00 -0.032 A ATOM 3 C LIG 1 0.206 0.210 0.977 0.00 0.00 +0.011 A ATOM 4 C LIG 1 1.500 0.172 0.422 0.00 0.00 -0.016 A ATOM 5 C LIG 1 1.653 0.603 -0.907 0.00 0.00 +0.006 A ATOM 6 C LIG 1 0.550 0.995 -1.668 0.00 0.00 +0.001 A ATOM 7 C LIG 1 -0.727 0.980 -1.112 0.00 0.00 +0.005 A BRANCH 2 8 ATOM 8 C LIG 1 -2.301 0.621 0.826 0.00 0.00 +0.141 C BRANCH 8 9 ATOM 9 N LIG 1 -2.529 -0.470 1.768 0.00 0.00 -0.186 NA ATOM 10 H LIG 1 -2.217 -1.405 1.513 0.00 0.00 +0.148 HD BRANCH 9 11 ATOM 11 S LIG 1 -3.881 -0.423 2.752 0.00 0.00 +0.059 S ATOM 12 O LIG 1 -3.884 0.847 3.443 0.00 0.00 -0.153 OA ATOM 13 O LIG 1 -3.928 -1.681 3.462 0.00 0.00 -0.153 OA BRANCH 11 17 ATOM 14 C LIG 1 -7.327 -0.440 -0.288 0.00 0.00 -0.042 A ATOM 15 C LIG 1 -6.958 0.741 0.391 0.00 0.00 +0.006 A ATOM 16 C LIG 1 -5.914 0.756 1.319 0.00 0.00 +0.029 A ATOM 17 C LIG 1 -5.213 -0.419 1.579 0.00 0.00 +0.105 A ATOM 18 C LIG 1 -5.563 -1.607 0.939 0.00 0.00 +0.029 A ATOM 19 C LIG 1 -6.610 -1.612 0.011 0.00 0.00 +0.006 A BRANCH 14 21 ATOM 20 C LIG 1 -9.789 0.006 -0.589 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -8.486 -0.413 -1.303 0.00 0.00 -0.013 C ATOM 22 C LIG 1 -8.754 -1.776 -1.982 0.00 0.00 +0.015 C ATOM 23 C LIG 1 -8.172 0.600 -2.425 0.00 0.00 +0.015 C ENDBRANCH 14 21 ENDBRANCH 11 17 ENDBRANCH 9 11 ENDBRANCH 8 9 ENDBRANCH 2 8 ENDBRANCH 1 4 BRANCH 1 24 ATOM 24 N LIG 1 3.857 -0.607 0.479 0.00 0.00 -0.295 N ATOM 25 H LIG 1 3.691 -1.192 -0.331 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 5.127 -0.490 0.986 0.00 0.00 +0.246 C ATOM 27 O LIG 1 5.350 -0.042 2.105 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 6.205 -1.012 0.133 0.00 0.00 +0.045 A ATOM 29 C LIG 1 7.205 -0.197 -0.376 0.00 0.00 +0.006 A ATOM 30 C LIG 1 7.480 1.231 -0.297 0.00 0.00 -0.006 A ATOM 31 C LIG 1 8.642 1.518 -1.038 0.00 0.00 +0.030 A ATOM 32 C LIG 1 9.134 0.253 -1.614 0.00 0.00 +0.194 C ATOM 33 O LIG 1 10.109 0.103 -2.320 0.00 0.00 -0.287 OA ATOM 34 C LIG 1 9.176 2.785 -1.175 0.00 0.00 +0.012 A ATOM 35 C LIG 1 8.509 3.826 -0.533 0.00 0.00 +0.001 A ATOM 36 C LIG 1 7.345 3.573 0.214 0.00 0.00 +0.001 A ATOM 37 C LIG 1 6.824 2.275 0.335 0.00 0.00 +0.009 A ATOM 38 C LIG 1 8.197 -0.799 -1.174 0.00 0.00 +0.031 A ATOM 39 C LIG 1 8.237 -2.149 -1.479 0.00 0.00 +0.012 A ATOM 40 C LIG 1 7.227 -2.953 -0.957 0.00 0.00 +0.001 A ATOM 41 C LIG 1 6.217 -2.392 -0.156 0.00 0.00 +0.014 A ENDBRANCH 26 28 ENDBRANCH 1 24 BRANCH 1 42 ATOM 42 C LIG 1 2.448 -1.392 2.261 0.00 0.00 +0.330 C ATOM 43 O LIG 1 1.570 -2.238 2.151 0.00 0.00 -0.249 OA BRANCH 42 44 ATOM 44 OXT LIG 1 3.370 -1.458 3.260 0.00 0.00 -0.479 OA ATOM 45 HXT LIG 1 4.099 -0.796 3.162 0.00 0.00 +0.295 HD ENDBRANCH 42 44 ENDBRANCH 1 42 TORSDOF 10