REMARK Name = BDB024458 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.237 -1.175 2.283 0.00 0.00 -0.309 N ATOM 2 H LIG 1 -0.169 -0.163 2.296 0.00 0.00 +0.149 HD ATOM 3 C LIG 1 -1.468 -1.763 2.465 0.00 0.00 +0.244 C ATOM 4 O LIG 1 -1.614 -2.932 2.804 0.00 0.00 -0.270 OA ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 -2.657 -0.891 2.250 0.00 0.00 +0.037 A ATOM 6 C LIG 1 -3.851 -1.221 2.909 0.00 0.00 +0.014 A ATOM 7 C LIG 1 -4.992 -0.435 2.734 0.00 0.00 +0.014 A ATOM 8 C LIG 1 -4.951 0.668 1.877 0.00 0.00 +0.037 A ATOM 9 C LIG 1 -3.761 1.009 1.222 0.00 0.00 +0.014 A ATOM 10 C LIG 1 -2.618 0.225 1.401 0.00 0.00 +0.014 A BRANCH 8 11 ATOM 11 C LIG 1 -6.169 1.496 1.718 0.00 0.00 +0.247 C ATOM 12 N LIG 1 -6.553 1.854 0.437 0.00 0.00 -0.287 N ATOM 13 C LIG 1 -6.409 1.023 -0.757 0.00 0.00 +0.102 C ATOM 14 C LIG 1 -7.525 -0.053 -0.721 0.00 0.00 +0.182 C ATOM 15 O LIG 1 -8.838 0.545 -0.722 0.00 0.00 -0.376 OA ATOM 16 C LIG 1 -8.967 1.568 0.292 0.00 0.00 +0.182 C ATOM 17 C LIG 1 -6.682 2.044 -1.871 0.00 0.00 +0.027 C ATOM 18 C LIG 1 -7.609 3.087 -1.216 0.00 0.00 +0.027 C ATOM 19 C LIG 1 -7.797 2.582 0.221 0.00 0.00 +0.102 C ATOM 20 O LIG 1 -6.785 1.836 2.724 0.00 0.00 -0.270 OA ENDBRANCH 8 11 ENDBRANCH 3 5 BRANCH 1 21 ATOM 21 C LIG 1 0.988 -1.860 2.660 0.00 0.00 +0.137 C BRANCH 21 22 ATOM 22 C LIG 1 2.210 -1.274 1.944 0.00 0.00 +0.145 C BRANCH 22 23 ATOM 23 O LIG 1 2.224 0.154 2.115 0.00 0.00 -0.389 OA ATOM 24 H LIG 1 2.814 0.478 1.401 0.00 0.00 +0.210 HD ENDBRANCH 22 23 BRANCH 22 25 ATOM 25 C LIG 1 2.217 -1.601 0.435 0.00 0.00 +0.117 C BRANCH 25 35 ATOM 26 C LIG 1 6.761 0.927 -3.783 0.00 0.00 +0.149 C ATOM 27 N LIG 1 6.608 0.212 -2.535 0.00 0.00 -0.346 N ATOM 28 C LIG 1 7.657 -0.129 -1.698 0.00 0.00 +0.049 A ATOM 29 C LIG 1 7.107 -0.780 -0.587 0.00 0.00 +0.005 A ATOM 30 C LIG 1 7.970 -1.233 0.432 0.00 0.00 +0.010 A ATOM 31 C LIG 1 9.348 -1.026 0.314 0.00 0.00 +0.001 A ATOM 32 C LIG 1 9.873 -0.378 -0.800 0.00 0.00 +0.002 A ATOM 33 C LIG 1 5.698 -0.830 -0.782 0.00 0.00 -0.005 A ATOM 34 C LIG 1 4.637 -1.433 0.084 0.00 0.00 +0.122 C ATOM 35 N LIG 1 3.300 -0.880 -0.278 0.00 0.00 -0.295 NA ATOM 36 C LIG 1 3.081 -0.968 -1.748 0.00 0.00 +0.091 C ATOM 37 C LIG 1 4.061 -0.077 -2.554 0.00 0.00 +0.069 C ATOM 38 C LIG 1 9.040 0.081 -1.824 0.00 0.00 +0.026 A ATOM 39 C LIG 1 5.432 -0.228 -1.996 0.00 0.00 +0.025 A ENDBRANCH 25 35 ENDBRANCH 22 25 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 7