REMARK Name = BDB017736 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N UNK A 0 -1.275 -1.172 -0.756 0.00 0.00 -0.307 N ATOM 2 H UNK A 0 -0.989 -0.280 -1.144 0.00 0.00 +0.149 HD ATOM 3 C UNK A 0 -0.532 -1.744 0.248 0.00 0.00 +0.245 C ATOM 4 O UNK A 0 -0.889 -2.702 0.921 0.00 0.00 -0.270 OA ENDROOT BRANCH 3 5 ATOM 5 C UNK A 0 0.754 -1.066 0.542 0.00 0.00 +0.043 A ATOM 6 C UNK A 0 1.738 -0.810 -0.443 0.00 0.00 -0.017 A ATOM 7 C UNK A 0 1.570 -1.348 -1.846 0.00 0.00 +0.046 C ATOM 8 C UNK A 0 2.885 -0.048 -0.099 0.00 0.00 +0.032 A ATOM 9 C UNK A 0 3.060 0.304 1.250 0.00 0.00 +0.043 A ATOM 10 C UNK A 0 2.104 -0.009 2.217 0.00 0.00 +0.043 A ATOM 11 CL UNK A 0 2.361 0.464 3.853 0.00 0.00 -0.083 Cl ATOM 12 C UNK A 0 0.946 -0.682 1.871 0.00 0.00 +0.033 A BRANCH 8 13 ATOM 13 N ALA A 1 3.853 0.220 -1.072 0.00 0.00 -0.339 N ATOM 14 H ALA A 1 3.452 0.313 -2.002 0.00 0.00 +0.146 HD BRANCH 13 15 ATOM 15 CA ALA A 1 4.992 1.119 -0.848 0.00 0.00 +0.093 C ATOM 16 CB ALA A 1 5.379 1.774 -2.179 0.00 0.00 +0.030 C BRANCH 15 17 ATOM 17 C ALA A 1 6.194 0.339 -0.276 0.00 0.00 +0.177 C BRANCH 17 18 ATOM 18 O ALA A 1 7.247 1.219 0.112 0.00 0.00 -0.393 OA ATOM 19 H ALA A 1 6.962 1.675 0.922 0.00 0.00 +0.209 HD ENDBRANCH 17 18 ENDBRANCH 15 17 ENDBRANCH 13 15 ENDBRANCH 8 13 ENDBRANCH 3 5 BRANCH 1 20 ATOM 20 C UNK A 0 -2.624 -1.598 -1.056 0.00 0.00 +0.145 C BRANCH 20 27 ATOM 21 C UNK A 0 -6.345 2.166 1.356 0.00 0.00 +0.063 C ATOM 22 C UNK A 0 -5.410 1.132 0.812 0.00 0.00 +0.016 A ATOM 23 N UNK A 0 -4.652 1.483 -0.277 0.00 0.00 -0.326 N ATOM 24 H UNK A 0 -4.732 2.410 -0.674 0.00 0.00 +0.169 HD ATOM 25 C UNK A 0 -3.738 0.660 -0.884 0.00 0.00 +0.254 A ATOM 26 O UNK A 0 -3.063 1.046 -1.835 0.00 0.00 -0.268 OA ATOM 27 C UNK A 0 -3.595 -0.724 -0.319 0.00 0.00 +0.037 A ATOM 28 C UNK A 0 -4.348 -1.062 0.752 0.00 0.00 -0.039 A ATOM 29 C UNK A 0 -4.322 -2.393 1.453 0.00 0.00 +0.044 C ATOM 30 C UNK A 0 -5.274 -0.097 1.330 0.00 0.00 +0.024 A ENDBRANCH 20 27 ENDBRANCH 1 20 TORSDOF 7