REMARK Name = BDB006358 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.935 -0.053 0.142 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -1.296 0.182 1.370 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -0.150 1.001 1.407 0.00 0.00 +0.001 A ATOM 4 C LIG 1 0.709 1.432 2.454 0.00 0.00 +0.027 A ATOM 5 C LIG 1 1.677 2.235 1.899 0.00 0.00 +0.087 A ATOM 6 N LIG 1 1.454 2.295 0.544 0.00 0.00 -0.342 N ATOM 7 C LIG 1 0.333 1.554 0.217 0.00 0.00 +0.049 A ATOM 8 C LIG 1 -0.287 1.312 -1.019 0.00 0.00 +0.027 A ATOM 9 C LIG 1 -1.423 0.497 -1.036 0.00 0.00 +0.015 A ENDROOT BRANCH 1 12 ATOM 10 N LIG 1 -3.982 -0.879 1.153 0.00 0.00 -0.305 N ATOM 11 H LIG 1 -3.845 -0.113 1.796 0.00 0.00 +0.150 HD ATOM 12 C LIG 1 -3.151 -0.909 0.053 0.00 0.00 +0.245 C ATOM 13 O LIG 1 -3.359 -1.556 -0.966 0.00 0.00 -0.270 OA BRANCH 10 14 ATOM 14 C LIG 1 -5.305 -1.493 1.209 0.00 0.00 +0.103 C BRANCH 14 15 ATOM 15 C LIG 1 -6.340 -0.600 0.543 0.00 0.00 -0.027 A ATOM 16 C LIG 1 -6.492 -0.557 -0.852 0.00 0.00 +0.005 A ATOM 17 C LIG 1 -7.439 0.281 -1.443 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -8.245 1.093 -0.651 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -8.103 1.072 0.734 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -7.155 0.235 1.327 0.00 0.00 +0.005 A ENDBRANCH 14 15 BRANCH 14 22 ATOM 21 C LIG 1 -4.466 -3.873 1.582 0.00 0.00 +0.006 C ATOM 22 C LIG 1 -5.376 -2.967 0.762 0.00 0.00 +0.024 C ENDBRANCH 14 22 ENDBRANCH 10 14 ENDBRANCH 1 12 BRANCH 6 23 ATOM 23 C LIG 1 2.262 3.080 -0.387 0.00 0.00 +0.157 C BRANCH 23 24 ATOM 24 C LIG 1 3.125 2.226 -1.282 0.00 0.00 -0.027 A ATOM 25 C LIG 1 3.985 1.248 -0.753 0.00 0.00 +0.014 A ATOM 26 C LIG 1 4.812 0.474 -1.583 0.00 0.00 -0.017 A ATOM 27 C LIG 1 4.770 0.697 -2.967 0.00 0.00 +0.008 A ATOM 28 C LIG 1 3.932 1.673 -3.506 0.00 0.00 +0.001 A ATOM 29 C LIG 1 3.118 2.435 -2.669 0.00 0.00 +0.005 A BRANCH 26 30 ATOM 30 C LIG 1 5.681 -0.567 -1.017 0.00 0.00 -0.004 A ATOM 31 C LIG 1 6.879 -0.296 -0.323 0.00 0.00 +0.067 A ATOM 32 C LIG 1 7.634 -1.353 0.221 0.00 0.00 +0.015 A ATOM 33 C LIG 1 7.211 -2.674 0.081 0.00 0.00 +0.001 A ATOM 34 C LIG 1 6.033 -2.954 -0.602 0.00 0.00 +0.001 A ATOM 35 C LIG 1 5.277 -1.912 -1.144 0.00 0.00 +0.009 A BRANCH 31 36 ATOM 36 C LIG 1 7.394 1.092 -0.176 0.00 0.00 +0.337 C ATOM 37 O LIG 1 7.249 2.028 -0.938 0.00 0.00 -0.245 OA BRANCH 36 38 ATOM 38 O LIG 1 8.085 1.245 0.972 0.00 0.00 -0.477 OA ATOM 39 H LIG 1 8.353 2.187 0.951 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 31 36 ENDBRANCH 26 30 ENDBRANCH 23 24 ENDBRANCH 6 23 TORSDOF 9