REMARK Name = BDB022221 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 0 -2.146 0.245 -0.147 0.00 0.00 +0.134 A ATOM 2 C UNK A 0 -0.715 0.561 -0.392 0.00 0.00 +0.040 A ATOM 3 C UNK A 0 -0.432 1.446 -1.429 0.00 0.00 +0.057 A ATOM 4 C UNK A 0 0.905 1.783 -1.672 0.00 0.00 +0.028 A ATOM 5 C UNK A 0 1.935 1.223 -0.905 0.00 0.00 +0.025 A ATOM 6 C UNK A 0 1.660 0.316 0.120 0.00 0.00 +0.032 A ATOM 7 N UNK A 0 -1.500 1.950 -2.209 0.00 0.00 -0.295 N ATOM 8 C UNK A 0 -1.238 2.860 -3.312 0.00 0.00 +0.154 C ATOM 9 C UNK A 0 -2.812 1.535 -1.980 0.00 0.00 +0.350 A ATOM 10 O UNK A 0 -3.731 1.911 -2.706 0.00 0.00 -0.244 OA ATOM 11 C UNK A 0 0.321 -0.016 0.362 0.00 0.00 +0.036 A ATOM 12 N UNK A 0 -3.076 0.707 -0.922 0.00 0.00 -0.178 NA ENDROOT BRANCH 1 13 ATOM 13 N ALA A 1 -2.486 -0.553 0.935 0.00 0.00 -0.324 N ATOM 14 H ALA A 1 -1.883 -0.450 1.744 0.00 0.00 +0.148 HD BRANCH 13 16 ATOM 15 CB ALA A 1 -3.906 -1.389 2.733 0.00 0.00 +0.030 C ATOM 16 CA ALA A 1 -3.885 -0.803 1.316 0.00 0.00 +0.094 C BRANCH 16 17 ATOM 17 C ALA A 1 -4.569 -1.760 0.321 0.00 0.00 +0.177 C BRANCH 17 18 ATOM 18 O ALA A 1 -5.889 -2.096 0.748 0.00 0.00 -0.393 OA ATOM 19 H ALA A 1 -6.314 -2.547 -0.002 0.00 0.00 +0.209 HD ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 1 13 BRANCH 6 20 ATOM 20 N UNK A 0 2.665 -0.320 0.874 0.00 0.00 -0.313 N ATOM 21 H UNK A 0 2.358 -0.573 1.812 0.00 0.00 +0.152 HD BRANCH 20 22 ATOM 22 C UNK A 0 4.028 -0.573 0.595 0.00 0.00 +0.053 A ATOM 23 C UNK A 0 4.992 -0.594 1.621 0.00 0.00 +0.110 A ATOM 24 C UNK A 0 6.319 -0.805 1.270 0.00 0.00 +0.148 A ATOM 25 CL UNK A 0 7.602 -0.856 2.419 0.00 0.00 -0.061 Cl ATOM 26 N UNK A 0 6.753 -0.992 0.003 0.00 0.00 -0.242 NA ATOM 27 C UNK A 0 5.818 -0.969 -0.964 0.00 0.00 +0.114 A ATOM 28 C UNK A 0 4.471 -0.761 -0.721 0.00 0.00 +0.044 A BRANCH 23 29 ATOM 29 C UNK A 0 4.618 -0.402 2.986 0.00 0.00 +0.104 C ATOM 30 N UNK A 0 4.246 -0.258 4.076 0.00 0.00 -0.191 NA ENDBRANCH 23 29 ENDBRANCH 20 22 ENDBRANCH 6 20 TORSDOF 7