REMARK Name = BDB051401 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 0 2.970 0.281 1.599 0.00 0.00 +0.054 C ATOM 2 C UNK A 0 2.287 1.424 2.407 0.00 0.00 +0.017 C ATOM 3 C UNK A 0 0.916 1.834 1.835 0.00 0.00 +0.012 C ATOM 4 C UNK A 0 -0.090 0.670 1.537 0.00 0.00 -0.005 C ATOM 5 C UNK A 0 0.652 -0.568 0.972 0.00 0.00 -0.063 C ATOM 6 C UNK A 0 0.140 -1.310 -0.027 0.00 0.00 -0.026 C ATOM 7 C UNK A 0 -1.176 -1.073 -0.706 0.00 0.00 +0.031 C ATOM 8 C UNK A 0 -2.098 -0.082 0.045 0.00 0.00 +0.006 C ATOM 9 C UNK A 0 -3.531 0.133 -0.669 0.00 0.00 -0.015 C ATOM 10 C UNK A 0 -4.341 1.284 0.094 0.00 0.00 +0.012 C ATOM 11 C UNK A 0 -3.434 2.517 0.357 0.00 0.00 +0.006 C ATOM 12 C UNK A 0 -2.212 2.170 1.193 0.00 0.00 +0.008 C ATOM 13 C UNK A 0 -3.398 0.505 -2.161 0.00 0.00 +0.012 C ATOM 14 C UNK A 0 -0.682 0.240 2.917 0.00 0.00 +0.016 C ATOM 15 C UNK A 0 -1.262 1.167 0.505 0.00 0.00 -0.019 C ATOM 16 C UNK A 0 -0.612 1.871 -0.724 0.00 0.00 +0.012 C ATOM 17 C UNK A 0 1.976 -0.913 1.658 0.00 0.00 +0.031 C ATOM 18 C UNK A 0 2.625 -2.278 1.344 0.00 0.00 +0.015 C ATOM 19 C UNK A 0 3.823 -2.599 2.285 0.00 0.00 -0.034 C ATOM 20 C UNK A 0 3.399 -3.685 3.296 0.00 0.00 +0.011 C ATOM 21 C UNK A 0 4.990 -3.167 1.454 0.00 0.00 +0.011 C ATOM 22 C UNK A 0 4.291 -1.361 3.087 0.00 0.00 +0.007 C ATOM 23 C UNK A 0 4.332 -0.078 2.258 0.00 0.00 +0.017 C ENDROOT BRANCH 1 26 ATOM 24 N VAL A 1 3.727 -0.130 -0.746 0.00 0.00 -0.302 N ATOM 25 H VAL A 1 4.199 -0.935 -0.360 0.00 0.00 +0.150 HD ATOM 26 C UNK A 0 3.286 0.802 0.166 0.00 0.00 +0.220 C ATOM 27 O UNK A 0 3.235 1.994 -0.136 0.00 0.00 -0.275 OA BRANCH 24 28 ATOM 28 CA VAL A 1 4.222 0.291 -2.064 0.00 0.00 +0.184 C BRANCH 28 30 ATOM 29 CG1 VAL A 1 4.591 -0.444 -4.479 0.00 0.00 +0.009 C ATOM 30 CB VAL A 1 4.051 -0.841 -3.101 0.00 0.00 +0.014 C ATOM 31 CG2 VAL A 1 2.578 -1.244 -3.242 0.00 0.00 +0.009 C ENDBRANCH 28 30 BRANCH 28 32 ATOM 32 C VAL A 1 5.702 0.631 -1.869 0.00 0.00 +0.326 C ATOM 33 O VAL A 1 6.482 0.043 -1.131 0.00 0.00 -0.249 OA BRANCH 32 34 ATOM 34 OXT VAL A 1 6.126 1.652 -2.638 0.00 0.00 -0.479 OA ATOM 35 HXT VAL A 1 7.065 1.772 -2.386 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 28 32 ENDBRANCH 24 28 ENDBRANCH 1 26 BRANCH 10 36 ATOM 36 C UNK A 0 -5.763 1.790 -0.449 0.00 0.00 +0.065 C ATOM 37 C UNK A 0 -5.667 2.860 -1.563 0.00 0.00 +0.023 C ATOM 38 C UNK A 0 -6.719 0.702 -0.974 0.00 0.00 +0.023 C BRANCH 36 39 ATOM 39 C UNK A 0 -6.494 2.442 0.738 0.00 0.00 +0.311 C ATOM 40 O UNK A 0 -6.747 3.626 0.890 0.00 0.00 -0.250 OA BRANCH 39 41 ATOM 41 O UNK A 0 -6.852 1.560 1.694 0.00 0.00 -0.480 OA ATOM 42 H UNK A 0 -7.279 2.117 2.379 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 36 39 ENDBRANCH 10 36 BRANCH 9 43 ATOM 43 C UNK A 0 -4.283 -1.252 -0.479 0.00 0.00 +0.127 C BRANCH 43 44 ATOM 44 C UNK A 0 -4.612 -2.072 -1.715 0.00 0.00 +0.305 C ATOM 45 O UNK A 0 -3.823 -2.342 -2.610 0.00 0.00 -0.251 OA BRANCH 44 46 ATOM 46 O UNK A 0 -5.881 -2.543 -1.727 0.00 0.00 -0.481 OA ATOM 47 H UNK A 0 -6.423 -2.327 -0.944 0.00 0.00 +0.295 HD ENDBRANCH 44 46 ENDBRANCH 43 44 ENDBRANCH 9 43 TORSDOF 11