REMARK Name = BDB055151 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.131 -0.790 0.583 0.00 0.00 +0.262 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.966 -0.522 -0.684 0.00 0.00 +0.254 C ATOM 3 N LIG 1 2.230 -0.016 -0.549 0.00 0.00 -0.302 N ATOM 4 H LIG 1 2.669 0.175 -1.448 0.00 0.00 +0.149 HD ATOM 5 O LIG 1 0.542 -0.764 -1.815 0.00 0.00 -0.272 OA BRANCH 3 6 ATOM 6 C LIG 1 2.707 0.769 0.579 0.00 0.00 +0.225 C BRANCH 6 7 ATOM 7 C LIG 1 4.090 1.338 0.297 0.00 0.00 +0.325 C ATOM 8 O LIG 1 4.641 1.323 -0.795 0.00 0.00 -0.249 OA BRANCH 7 9 ATOM 9 O LIG 1 4.619 1.883 1.433 0.00 0.00 -0.452 OA BRANCH 9 10 ATOM 10 C LIG 1 5.880 2.546 1.246 0.00 0.00 +0.352 C BRANCH 10 11 ATOM 11 C LIG 1 7.053 1.598 1.433 0.00 0.00 +0.343 C ATOM 12 O LIG 1 8.178 1.798 1.001 0.00 0.00 -0.247 OA BRANCH 11 13 ATOM 13 O LIG 1 6.749 0.522 2.201 0.00 0.00 -0.478 OA ATOM 14 H LIG 1 5.818 0.545 2.498 0.00 0.00 +0.295 HD ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 9 10 ENDBRANCH 7 9 ENDBRANCH 6 7 ENDBRANCH 3 6 ENDBRANCH 1 2 BRANCH 1 15 ATOM 15 O LIG 1 -1.266 -0.880 0.282 0.00 0.00 -0.451 OA BRANCH 15 16 ATOM 16 C LIG 1 -1.834 0.307 -0.085 0.00 0.00 +0.329 C ATOM 17 O LIG 1 -1.251 1.386 -0.080 0.00 0.00 -0.249 OA BRANCH 16 21 ATOM 18 C LIG 1 -5.370 3.020 0.653 0.00 0.00 +0.109 C ATOM 19 C LIG 1 -4.547 1.760 0.706 0.00 0.00 +0.213 C ATOM 20 N LIG 1 -4.066 1.293 -0.492 0.00 0.00 -0.288 N ATOM 21 C LIG 1 -3.273 0.066 -0.556 0.00 0.00 +0.185 C ATOM 22 C LIG 1 -3.297 -0.310 -2.036 0.00 0.00 +0.035 C ATOM 23 C LIG 1 -3.403 1.042 -2.738 0.00 0.00 +0.021 C ATOM 24 C LIG 1 -4.304 1.848 -1.813 0.00 0.00 +0.109 C ATOM 25 O LIG 1 -4.315 1.190 1.771 0.00 0.00 -0.276 OA ENDBRANCH 16 21 ENDBRANCH 15 16 ENDBRANCH 1 15 BRANCH 1 26 ATOM 26 C LIG 1 0.575 -2.057 1.336 0.00 0.00 +0.057 C BRANCH 26 27 ATOM 27 C LIG 1 0.511 -3.434 0.634 0.00 0.00 -0.013 C ATOM 28 C LIG 1 -0.828 -3.743 -0.030 0.00 0.00 +0.007 C ATOM 29 C LIG 1 1.663 -3.663 -0.346 0.00 0.00 +0.007 C ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 12