REMARK Name = BDB058783 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.445 0.276 0.326 0.00 0.00 +0.060 A ATOM 2 C LIG 1 -0.104 1.191 -0.606 0.00 0.00 +0.007 A ATOM 3 C LIG 1 -1.486 1.527 -0.524 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.994 2.440 -1.482 0.00 0.00 +0.010 A ATOM 5 C LIG 1 -1.192 3.005 -2.476 0.00 0.00 +0.001 A ATOM 6 C LIG 1 0.150 2.674 -2.546 0.00 0.00 +0.001 A ATOM 7 C LIG 1 -2.282 0.935 0.503 0.00 0.00 +0.036 A ATOM 8 C LIG 1 -1.693 0.044 1.413 0.00 0.00 +0.025 A ATOM 9 C LIG 1 0.684 1.778 -1.624 0.00 0.00 +0.010 A ATOM 10 C LIG 1 -0.344 -0.278 1.335 0.00 0.00 +0.027 A ENDROOT BRANCH 7 11 ATOM 11 N LIG 1 -3.671 1.180 0.644 0.00 0.00 -0.331 N ATOM 12 H LIG 1 -3.964 1.996 0.108 0.00 0.00 +0.147 HD BRANCH 11 13 ATOM 13 CA LIG 1 -4.536 0.015 0.285 0.00 0.00 +0.185 C BRANCH 13 14 ATOM 14 C LIG 1 -5.820 0.012 1.178 0.00 0.00 -0.009 C ATOM 15 C LIG 1 -5.417 -0.117 2.663 0.00 0.00 +0.013 C ATOM 16 C LIG 1 -6.710 -1.201 0.833 0.00 0.00 +0.013 C ATOM 17 C LIG 1 -6.658 1.294 1.011 0.00 0.00 +0.013 C ENDBRANCH 13 14 BRANCH 13 18 ATOM 18 C LIG 1 -4.873 0.079 -1.216 0.00 0.00 +0.326 C ATOM 19 O LIG 1 -5.067 1.094 -1.870 0.00 0.00 -0.249 OA BRANCH 18 20 ATOM 20 OXT LIG 1 -4.952 -1.134 -1.800 0.00 0.00 -0.479 OA ATOM 21 HXT LIG 1 -5.116 -0.936 -2.746 0.00 0.00 +0.295 HD ENDBRANCH 18 20 ENDBRANCH 13 18 ENDBRANCH 11 13 ENDBRANCH 7 11 BRANCH 1 22 ATOM 22 N LIG 1 1.862 -0.028 0.281 0.00 0.00 -0.192 N BRANCH 22 23 ATOM 23 S LIG 1 2.212 -1.675 -0.020 0.00 0.00 +0.075 S ATOM 24 O LIG 1 1.424 -2.137 -1.143 0.00 0.00 -0.150 OA ATOM 25 O LIG 1 2.175 -2.374 1.250 0.00 0.00 -0.150 OA BRANCH 23 29 ATOM 26 C LIG 1 6.557 -1.593 -1.437 0.00 0.00 +0.120 A ATOM 27 C LIG 1 5.531 -1.113 -2.257 0.00 0.00 +0.047 A ATOM 28 C LIG 1 4.203 -1.141 -1.830 0.00 0.00 +0.032 A ATOM 29 C LIG 1 3.905 -1.640 -0.561 0.00 0.00 +0.109 A ATOM 30 C LIG 1 4.918 -2.135 0.264 0.00 0.00 +0.032 A ATOM 31 C LIG 1 6.245 -2.107 -0.175 0.00 0.00 +0.047 A BRANCH 26 33 ATOM 32 C LIG 1 8.880 -2.058 -1.225 0.00 0.00 +0.277 C ATOM 33 O LIG 1 7.809 -1.504 -1.979 0.00 0.00 -0.495 OA ENDBRANCH 26 33 ENDBRANCH 23 29 ENDBRANCH 22 23 BRANCH 22 34 ATOM 34 C LIG 1 2.665 0.628 1.351 0.00 0.00 +0.251 C BRANCH 34 35 ATOM 35 C LIG 1 3.901 1.283 0.779 0.00 0.00 +0.324 C ATOM 36 O LIG 1 4.035 1.775 -0.330 0.00 0.00 -0.249 OA BRANCH 35 37 ATOM 37 O LIG 1 4.926 1.317 1.657 0.00 0.00 -0.479 OA ATOM 38 H LIG 1 5.649 1.752 1.154 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 22 34 ENDBRANCH 1 22 TORSDOF 12