REMARK Name = BDB010128 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 0 -2.027 -1.899 -0.172 0.00 0.00 +0.199 A ATOM 2 N UNK A 0 -1.084 -1.164 0.520 0.00 0.00 -0.303 N ATOM 3 C UNK A 0 0.159 -1.656 0.188 0.00 0.00 +0.130 A ATOM 4 C UNK A 0 -0.120 -2.734 -0.634 0.00 0.00 +0.185 A ATOM 5 N UNK A 0 0.810 -3.547 -1.155 0.00 0.00 -0.200 NA ATOM 6 C UNK A 0 2.051 -3.212 -0.778 0.00 0.00 +0.242 A ATOM 7 N UNK A 0 2.416 -2.172 0.009 0.00 0.00 -0.205 NA ATOM 8 C UNK A 0 1.476 -1.341 0.500 0.00 0.00 +0.149 A ATOM 9 N UNK A 0 -1.459 -2.863 -0.856 0.00 0.00 -0.194 NA ENDROOT BRANCH 1 10 ATOM 10 N ALA A 1 -3.349 -1.621 -0.111 0.00 0.00 -0.310 N ATOM 11 H ALA A 1 -3.666 -0.691 0.144 0.00 0.00 +0.149 HD BRANCH 10 13 ATOM 12 CB ALA A 1 -5.545 -1.535 -1.180 0.00 0.00 +0.030 C ATOM 13 CA ALA A 1 -4.252 -2.339 -1.020 0.00 0.00 +0.095 C BRANCH 13 14 ATOM 14 C ALA A 1 -4.560 -3.755 -0.492 0.00 0.00 +0.177 C BRANCH 14 15 ATOM 15 O ALA A 1 -5.267 -4.523 -1.465 0.00 0.00 -0.393 OA ATOM 16 H ALA A 1 -4.611 -4.778 -2.139 0.00 0.00 +0.209 HD ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 10 13 ENDBRANCH 1 10 BRANCH 6 17 ATOM 17 C UNK A 0 3.154 -4.088 -1.312 0.00 0.00 +0.375 C ATOM 18 O UNK A 0 3.032 -5.072 -2.022 0.00 0.00 -0.242 OA BRANCH 17 19 ATOM 19 O UNK A 0 4.392 -3.688 -0.932 0.00 0.00 -0.475 OA ATOM 20 H UNK A 0 4.985 -4.346 -1.349 0.00 0.00 +0.296 HD ENDBRANCH 17 19 ENDBRANCH 6 17 BRANCH 8 21 ATOM 21 N UNK A 0 1.833 -0.237 1.260 0.00 0.00 -0.324 N ATOM 22 H UNK A 0 1.222 0.558 1.121 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C UNK A 0 3.250 0.120 1.356 0.00 0.00 +0.072 C ATOM 24 C UNK A 0 3.459 0.786 2.721 0.00 0.00 +0.028 C BRANCH 23 25 ATOM 25 C UNK A 0 3.731 1.080 0.261 0.00 0.00 +0.009 C ATOM 26 C UNK A 0 3.455 0.787 -1.244 0.00 0.00 +0.005 C ATOM 27 C UNK A 0 3.420 2.316 -1.455 0.00 0.00 +0.001 C ATOM 28 C UNK A 0 3.002 2.436 0.025 0.00 0.00 +0.005 C ENDBRANCH 23 25 ENDBRANCH 21 23 ENDBRANCH 8 21 BRANCH 2 29 ATOM 29 C UNK A 0 -1.370 -0.158 1.531 0.00 0.00 +0.160 C BRANCH 29 30 ATOM 30 C UNK A 0 -1.215 1.266 1.043 0.00 0.00 -0.028 A ATOM 31 C UNK A 0 -1.450 1.650 -0.286 0.00 0.00 +0.006 A ATOM 32 C UNK A 0 -1.303 2.984 -0.680 0.00 0.00 +0.013 A ATOM 33 C UNK A 0 -0.937 3.969 0.247 0.00 0.00 +0.055 A ATOM 34 C UNK A 0 -0.718 3.591 1.578 0.00 0.00 +0.013 A ATOM 35 C UNK A 0 -0.864 2.259 1.972 0.00 0.00 +0.006 A BRANCH 33 36 ATOM 36 C UNK A 0 -0.746 5.404 -0.179 0.00 0.00 +0.417 C ATOM 37 F UNK A 0 -1.232 6.293 0.732 0.00 0.00 -0.166 F ATOM 38 F UNK A 0 -1.359 5.705 -1.357 0.00 0.00 -0.166 F ATOM 39 F UNK A 0 0.568 5.720 -0.347 0.00 0.00 -0.166 F ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 2 29 TORSDOF 12