REMARK Name = BDB029265 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.269 -0.645 -1.235 0.00 0.00 +0.252 C ATOM 2 C LIG 1 -0.508 0.687 -1.228 0.00 0.00 +0.195 C ATOM 3 C LIG 1 0.890 0.237 -1.600 0.00 0.00 +0.179 C ATOM 4 C LIG 1 1.018 -1.129 -0.929 0.00 0.00 +0.185 C ATOM 5 O LIG 1 -0.328 -1.680 -0.862 0.00 0.00 -0.345 OA ENDROOT BRANCH 1 10 ATOM 6 C LIG 1 -5.461 0.704 0.803 0.00 0.00 +0.227 A ATOM 7 C LIG 1 -4.338 -0.112 0.663 0.00 0.00 +0.080 A ATOM 8 C LIG 1 -3.830 -1.280 1.291 0.00 0.00 +0.034 A ATOM 9 C LIG 1 -2.650 -1.611 0.661 0.00 0.00 +0.091 A ATOM 10 N LIG 1 -2.405 -0.671 -0.315 0.00 0.00 -0.303 N ATOM 11 C LIG 1 -3.438 0.240 -0.333 0.00 0.00 +0.150 A ATOM 12 N LIG 1 -3.546 1.291 -1.169 0.00 0.00 -0.217 NA ATOM 13 C LIG 1 -4.673 1.994 -0.939 0.00 0.00 +0.227 A ATOM 14 N LIG 1 -5.623 1.769 -0.014 0.00 0.00 -0.201 NA BRANCH 6 16 ATOM 15 C LIG 1 -7.488 1.335 1.787 0.00 0.00 +0.279 C ATOM 16 O LIG 1 -6.401 0.417 1.774 0.00 0.00 -0.479 OA ENDBRANCH 6 16 ENDBRANCH 1 10 BRANCH 2 17 ATOM 17 O LIG 1 -0.982 1.638 -2.189 0.00 0.00 -0.385 OA ATOM 18 H LIG 1 -1.931 1.779 -1.978 0.00 0.00 +0.210 HD ENDBRANCH 2 17 BRANCH 3 19 ATOM 19 O LIG 1 0.948 0.073 -3.030 0.00 0.00 -0.386 OA ATOM 20 H LIG 1 0.496 0.866 -3.390 0.00 0.00 +0.210 HD ENDBRANCH 3 19 BRANCH 4 21 ATOM 21 C LIG 1 1.588 -1.099 0.507 0.00 0.00 +0.176 C BRANCH 21 22 ATOM 22 C LIG 1 3.030 -0.630 0.566 0.00 0.00 -0.016 A ATOM 23 C LIG 1 4.044 -1.455 0.046 0.00 0.00 +0.010 A ATOM 24 C LIG 1 5.340 -0.997 0.100 0.00 0.00 -0.044 A ATOM 25 C LIG 1 6.763 -1.330 -0.239 0.00 0.00 +0.040 C ATOM 26 C LIG 1 7.130 0.059 0.379 0.00 0.00 +0.040 C ATOM 27 C LIG 1 5.663 0.221 0.642 0.00 0.00 -0.044 A ATOM 28 C LIG 1 4.710 1.059 1.166 0.00 0.00 +0.004 A ATOM 29 C LIG 1 3.381 0.624 1.126 0.00 0.00 +0.006 A ENDBRANCH 21 22 BRANCH 21 30 ATOM 30 O LIG 1 0.753 -0.302 1.355 0.00 0.00 -0.385 OA ATOM 31 H LIG 1 -0.017 -0.860 1.571 0.00 0.00 +0.210 HD ENDBRANCH 21 30 ENDBRANCH 4 21 TORSDOF 7