REMARK Name = BDB054935 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.060 -0.608 1.148 0.00 0.00 +0.234 C ATOM 2 N LIG 1 -0.117 0.097 -0.038 0.00 0.00 -0.302 N ATOM 3 H LIG 1 0.373 0.991 -0.057 0.00 0.00 +0.150 HD ATOM 4 O LIG 1 -0.763 -1.595 1.363 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 5 ATOM 5 C LIG 1 1.008 -0.082 2.138 0.00 0.00 +0.165 C BRANCH 5 7 ATOM 6 C LIG 1 3.045 0.092 0.723 0.00 0.00 +0.219 C ATOM 7 N LIG 1 2.338 -0.537 1.727 0.00 0.00 -0.303 N ATOM 8 H LIG 1 2.583 -1.493 1.959 0.00 0.00 +0.149 HD ATOM 9 O LIG 1 2.612 1.085 0.147 0.00 0.00 -0.275 OA BRANCH 6 10 ATOM 10 C LIG 1 4.390 -0.572 0.420 0.00 0.00 +0.101 C BRANCH 10 11 ATOM 11 C LIG 1 4.959 -0.169 -0.955 0.00 0.00 +0.018 C BRANCH 11 13 ATOM 12 C LIG 1 3.002 -1.112 -2.329 0.00 0.00 +0.007 C ATOM 13 C LIG 1 4.514 -1.092 -2.112 0.00 0.00 -0.016 C ATOM 14 C LIG 1 5.213 -0.669 -3.407 0.00 0.00 +0.007 C ENDBRANCH 11 13 ENDBRANCH 10 11 BRANCH 10 15 ATOM 15 C LIG 1 5.364 -0.238 1.560 0.00 0.00 +0.168 C BRANCH 15 16 ATOM 16 O LIG 1 5.841 1.098 1.462 0.00 0.00 -0.394 OA ATOM 17 H LIG 1 6.434 1.253 2.217 0.00 0.00 +0.209 HD ENDBRANCH 15 16 ENDBRANCH 10 15 ENDBRANCH 6 10 ENDBRANCH 5 7 BRANCH 5 18 ATOM 18 C LIG 1 0.687 -0.475 3.593 0.00 0.00 +0.086 C BRANCH 18 19 ATOM 19 C LIG 1 1.012 -1.894 3.940 0.00 0.00 +0.038 A ATOM 20 N LIG 1 0.296 -2.964 3.460 0.00 0.00 -0.348 N ATOM 21 H LIG 1 -0.486 -2.910 2.812 0.00 0.00 +0.166 HD ATOM 22 C LIG 1 0.883 -4.099 3.936 0.00 0.00 +0.196 A ATOM 23 N LIG 1 1.915 -3.823 4.701 0.00 0.00 -0.244 NA ATOM 24 C LIG 1 1.991 -2.455 4.730 0.00 0.00 +0.133 A ENDBRANCH 18 19 ENDBRANCH 5 18 ENDBRANCH 1 5 BRANCH 2 25 ATOM 25 C LIG 1 -1.252 -0.063 -0.939 0.00 0.00 +0.163 C BRANCH 25 26 ATOM 26 C LIG 1 -2.488 0.662 -0.354 0.00 0.00 +0.234 C ATOM 27 N LIG 1 -3.683 0.328 -0.966 0.00 0.00 -0.313 N ATOM 28 H LIG 1 -3.696 -0.419 -1.647 0.00 0.00 +0.149 HD ATOM 29 O LIG 1 -2.416 1.460 0.580 0.00 0.00 -0.274 OA BRANCH 27 30 ATOM 30 C LIG 1 -4.956 0.860 -0.517 0.00 0.00 +0.110 C BRANCH 30 31 ATOM 31 C LIG 1 -5.736 -0.087 0.429 0.00 0.00 -0.022 C ATOM 32 C LIG 1 -7.074 0.587 0.788 0.00 0.00 +0.012 C ATOM 33 C LIG 1 -6.032 -1.428 -0.265 0.00 0.00 +0.012 C ATOM 34 C LIG 1 -4.956 -0.350 1.728 0.00 0.00 +0.012 C ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 25 26 BRANCH 25 35 ATOM 35 C LIG 1 -0.938 0.393 -2.375 0.00 0.00 +0.067 C BRANCH 35 36 ATOM 36 C LIG 1 -0.723 1.879 -2.559 0.00 0.00 -0.045 A ATOM 37 C LIG 1 0.543 2.449 -2.372 0.00 0.00 +0.004 A ATOM 38 C LIG 1 0.734 3.823 -2.527 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -0.336 4.643 -2.876 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -1.599 4.088 -3.069 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -1.792 2.715 -2.912 0.00 0.00 +0.004 A ENDBRANCH 35 36 ENDBRANCH 25 35 ENDBRANCH 2 25 TORSDOF 15