REMARK Name = BDB028970 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N UNK A 0 -0.942 -1.000 1.278 0.00 0.00 -0.322 N ATOM 2 C UNK A 0 -1.442 -1.622 0.166 0.00 0.00 +0.149 A ATOM 3 C UNK A 0 -2.601 -0.974 -0.201 0.00 0.00 +0.091 A ATOM 4 C UNK A 0 -3.309 -1.446 -1.371 0.00 0.00 +0.263 A ATOM 5 N UNK A 0 -2.701 -2.561 -1.963 0.00 0.00 -0.302 N ATOM 6 C UNK A 0 -1.521 -3.104 -1.473 0.00 0.00 +0.204 A ATOM 7 C UNK A 0 -3.329 -3.119 -3.141 0.00 0.00 +0.153 C ATOM 8 O UNK A 0 -4.328 -0.916 -1.803 0.00 0.00 -0.267 OA ATOM 9 C UNK A 0 -2.818 0.083 0.723 0.00 0.00 +0.014 A ATOM 10 N UNK A 0 -0.854 -2.681 -0.439 0.00 0.00 -0.219 NA ATOM 11 C UNK A 0 -1.768 0.042 1.625 0.00 0.00 +0.097 A ENDROOT BRANCH 9 12 ATOM 12 C UNK A 0 -3.892 1.055 0.809 0.00 0.00 -0.013 A ATOM 13 C UNK A 0 -5.224 0.628 0.869 0.00 0.00 +0.025 A ATOM 14 C UNK A 0 -6.267 1.560 0.967 0.00 0.00 +0.080 A ATOM 15 C UNK A 0 -5.977 2.932 0.960 0.00 0.00 +0.147 A ATOM 16 C UNK A 0 -4.644 3.356 0.912 0.00 0.00 +0.084 A ATOM 17 CL UNK A 0 -4.234 5.035 0.925 0.00 0.00 -0.080 Cl ATOM 18 C UNK A 0 -3.606 2.424 0.842 0.00 0.00 +0.032 A BRANCH 14 19 ATOM 19 C UNK A 0 -7.649 1.027 1.090 0.00 0.00 +0.245 C ATOM 20 O UNK A 0 -7.967 -0.076 0.669 0.00 0.00 -0.270 OA ATOM 21 N UNK A 0 -8.560 1.816 1.744 0.00 0.00 -0.325 N ATOM 22 H UNK A 0 -9.430 1.344 1.968 0.00 0.00 +0.145 HD ATOM 23 H UNK A 0 -8.231 2.479 2.440 0.00 0.00 +0.145 HD ENDBRANCH 14 19 BRANCH 15 24 ATOM 24 O UNK A 0 -6.967 3.884 0.980 0.00 0.00 -0.505 OA ATOM 25 H UNK A 0 -7.798 3.474 0.669 0.00 0.00 +0.292 HD ENDBRANCH 15 24 ENDBRANCH 9 12 BRANCH 1 26 ATOM 26 C UNK A 0 0.253 -1.406 1.994 0.00 0.00 +0.219 C BRANCH 26 29 ATOM 27 N UNK A 0 1.840 -1.380 0.152 0.00 0.00 -0.283 N ATOM 28 H UNK A 0 1.176 -2.055 -0.237 0.00 0.00 +0.155 HD ATOM 29 C UNK A 0 1.510 -0.825 1.377 0.00 0.00 +0.237 C ATOM 30 O UNK A 0 2.155 0.032 1.977 0.00 0.00 -0.274 OA BRANCH 27 36 ATOM 31 C UNK A 0 4.997 0.112 -1.183 0.00 0.00 +0.121 A ATOM 32 N UNK A 0 5.142 -0.535 -2.353 0.00 0.00 -0.239 NA ATOM 33 C UNK A 0 4.205 -1.455 -2.675 0.00 0.00 +0.134 A ATOM 34 C UNK A 0 3.113 -1.762 -1.879 0.00 0.00 +0.080 A ATOM 35 CL UNK A 0 2.004 -2.970 -2.410 0.00 0.00 -0.080 Cl ATOM 36 C UNK A 0 2.958 -1.078 -0.669 0.00 0.00 +0.057 A ATOM 37 C UNK A 0 3.921 -0.123 -0.331 0.00 0.00 +0.068 A BRANCH 31 38 ATOM 38 N ALA A 1 5.977 1.060 -0.915 0.00 0.00 -0.324 N ATOM 39 H ALA A 1 6.620 1.001 -1.705 0.00 0.00 +0.148 HD BRANCH 38 41 ATOM 40 CB ALA A 1 7.681 -0.190 0.357 0.00 0.00 +0.030 C ATOM 41 CA ALA A 1 6.674 0.963 0.377 0.00 0.00 +0.094 C BRANCH 41 42 ATOM 42 C ALA A 1 7.382 2.305 0.653 0.00 0.00 +0.177 C BRANCH 42 43 ATOM 43 O ALA A 1 8.031 2.296 1.921 0.00 0.00 -0.393 OA ATOM 44 H ALA A 1 8.390 3.190 2.059 0.00 0.00 +0.209 HD ENDBRANCH 42 43 ENDBRANCH 41 42 ENDBRANCH 38 41 ENDBRANCH 31 38 ENDBRANCH 27 36 ENDBRANCH 26 29 ENDBRANCH 1 26 TORSDOF 10