REMARK Name = BDB037232 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 S LIG 1 -1.284 1.693 -1.141 0.00 0.00 +0.157 S ATOM 2 O LIG 1 -1.304 1.407 -2.558 0.00 0.00 -0.223 OA ATOM 3 N LIG 1 -1.570 3.050 -0.481 0.00 0.00 -0.232 NA ATOM 4 H LIG 1 -0.842 3.708 -0.778 0.00 0.00 +0.199 HD ENDROOT BRANCH 1 6 ATOM 5 C LIG 1 -1.974 -0.824 -0.218 0.00 0.00 +0.138 A ATOM 6 C LIG 1 -2.375 0.505 -0.384 0.00 0.00 +0.107 A ATOM 7 C LIG 1 -3.657 0.932 0.010 0.00 0.00 +0.027 A ATOM 8 C LIG 1 -4.568 0.045 0.604 0.00 0.00 -0.038 A ATOM 9 C LIG 1 -4.145 -1.286 0.771 0.00 0.00 +0.008 A ATOM 10 C LIG 1 -2.870 -1.713 0.374 0.00 0.00 +0.047 A BRANCH 8 11 ATOM 11 C LIG 1 -5.983 0.476 1.041 0.00 0.00 +0.013 C ATOM 12 C LIG 1 -6.204 2.008 0.994 0.00 0.00 +0.018 C ATOM 13 C LIG 1 -6.245 0.045 2.504 0.00 0.00 +0.018 C BRANCH 11 14 ATOM 14 C LIG 1 -7.015 -0.198 0.096 0.00 0.00 +0.166 C BRANCH 14 15 ATOM 15 O LIG 1 -8.354 0.125 0.463 0.00 0.00 -0.394 OA ATOM 16 H LIG 1 -8.936 -0.275 -0.206 0.00 0.00 +0.209 HD ENDBRANCH 14 15 ENDBRANCH 11 14 ENDBRANCH 8 11 BRANCH 5 18 ATOM 17 C LIG 1 -0.486 -2.551 -0.899 0.00 0.00 +0.277 C ATOM 18 O LIG 1 -0.714 -1.171 -0.622 0.00 0.00 -0.494 OA ENDBRANCH 5 18 ENDBRANCH 1 6 BRANCH 1 19 ATOM 19 N LIG 1 0.282 1.351 -0.647 0.00 0.00 -0.219 N ATOM 20 H LIG 1 0.451 0.359 -0.525 0.00 0.00 +0.166 HD ATOM 21 C LIG 1 1.319 2.075 -1.166 0.00 0.00 +0.274 C ATOM 22 O LIG 1 1.246 3.224 -1.587 0.00 0.00 -0.268 OA BRANCH 21 23 ATOM 23 C LIG 1 2.614 1.329 -1.177 0.00 0.00 +0.130 A ATOM 24 N LIG 1 2.578 0.075 -0.651 0.00 0.00 -0.208 NA ATOM 25 C LIG 1 3.742 -0.610 -0.655 0.00 0.00 +0.220 A ATOM 26 C LIG 1 4.933 -0.132 -1.198 0.00 0.00 +0.035 A ATOM 27 C LIG 1 4.925 1.165 -1.731 0.00 0.00 +0.013 A ATOM 28 C LIG 1 3.750 1.910 -1.721 0.00 0.00 +0.033 A BRANCH 25 29 ATOM 29 O LIG 1 3.719 -1.899 -0.176 0.00 0.00 -0.479 OA ATOM 30 C LIG 1 3.011 -1.975 1.058 0.00 0.00 +0.279 C ENDBRANCH 25 29 BRANCH 26 31 ATOM 31 C LIG 1 6.197 -0.945 -1.157 0.00 0.00 +0.184 C BRANCH 31 32 ATOM 32 N LIG 1 6.971 -0.653 0.042 0.00 0.00 -0.267 N ATOM 33 N LIG 1 6.706 -1.295 1.199 0.00 0.00 -0.179 NA ATOM 34 C LIG 1 7.599 -0.790 2.054 0.00 0.00 +0.134 A ATOM 35 C LIG 1 8.441 0.161 1.451 0.00 0.00 +0.041 A ATOM 36 C LIG 1 8.015 0.225 0.145 0.00 0.00 +0.108 A ENDBRANCH 31 32 ENDBRANCH 26 31 ENDBRANCH 21 23 ENDBRANCH 1 19 TORSDOF 10