REMARK Name = BDB028447 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.172 -2.302 1.867 0.00 0.00 -0.014 A ATOM 2 C LIG 1 0.192 -2.180 1.569 0.00 0.00 +0.019 A ATOM 3 C LIG 1 1.020 -1.399 2.384 0.00 0.00 +0.012 A ATOM 4 C LIG 1 0.484 -0.780 3.512 0.00 0.00 +0.050 A ATOM 5 C LIG 1 1.363 0.022 4.379 0.00 0.00 +0.272 A ATOM 6 N LIG 1 2.681 0.089 4.003 0.00 0.00 -0.242 N ATOM 7 H LIG 1 3.302 0.647 4.582 0.00 0.00 +0.192 HD ATOM 8 N LIG 1 3.228 -0.472 2.890 0.00 0.00 -0.174 NA ATOM 9 O LIG 1 0.933 0.587 5.378 0.00 0.00 -0.266 OA ATOM 10 C LIG 1 -0.874 -0.917 3.826 0.00 0.00 +0.014 A ATOM 11 C LIG 1 2.462 -1.173 2.105 0.00 0.00 +0.086 A ATOM 12 C LIG 1 -1.704 -1.674 2.998 0.00 0.00 +0.009 A ENDROOT BRANCH 1 18 ATOM 13 C LIG 1 -2.816 -2.462 -0.013 0.00 0.00 +0.078 A ATOM 14 N LIG 1 -3.441 -3.522 -0.635 0.00 0.00 -0.266 N ATOM 15 C LIG 1 -4.390 -3.481 -1.723 0.00 0.00 +0.173 C ATOM 16 N LIG 1 -3.090 -4.726 -0.135 0.00 0.00 -0.179 NA ATOM 17 C LIG 1 -2.242 -4.429 0.849 0.00 0.00 +0.143 A ATOM 18 C LIG 1 -2.032 -3.042 0.973 0.00 0.00 +0.027 A BRANCH 13 22 ATOM 19 C LIG 1 -5.289 1.954 0.127 0.00 0.00 +0.045 C ATOM 20 C LIG 1 -4.146 1.079 -0.319 0.00 0.00 -0.032 A ATOM 21 C LIG 1 -4.063 -0.276 0.058 0.00 0.00 +0.064 A ATOM 22 C LIG 1 -2.980 -1.054 -0.384 0.00 0.00 +0.018 A ATOM 23 C LIG 1 -1.985 -0.464 -1.182 0.00 0.00 +0.015 A ATOM 24 C LIG 1 -2.026 0.887 -1.563 0.00 0.00 -0.043 A ATOM 25 C LIG 1 -3.128 1.635 -1.117 0.00 0.00 +0.008 A BRANCH 24 26 ATOM 26 C LIG 1 -0.906 1.461 -2.410 0.00 0.00 +0.019 C ATOM 27 C LIG 1 -0.498 2.910 -2.305 0.00 0.00 +0.009 C ATOM 28 C LIG 1 -1.201 2.418 -3.539 0.00 0.00 +0.009 C ENDBRANCH 24 26 BRANCH 21 29 ATOM 29 C LIG 1 -5.081 -0.852 0.895 0.00 0.00 +0.100 C ATOM 30 N LIG 1 -5.922 -1.296 1.558 0.00 0.00 -0.191 NA ENDBRANCH 21 29 ENDBRANCH 13 22 ENDBRANCH 1 18 BRANCH 11 31 ATOM 31 C LIG 1 3.103 -1.770 0.849 0.00 0.00 +0.165 C BRANCH 31 32 ATOM 32 N LIG 1 2.582 -1.145 -0.353 0.00 0.00 -0.275 N ATOM 33 H LIG 1 1.884 -1.613 -0.911 0.00 0.00 +0.152 HD ATOM 34 C LIG 1 3.019 0.025 -0.890 0.00 0.00 +0.401 C ATOM 35 O LIG 1 2.545 0.449 -1.934 0.00 0.00 -0.226 OA BRANCH 34 36 ATOM 36 O LIG 1 3.980 0.608 -0.147 0.00 0.00 -0.445 OA BRANCH 36 37 ATOM 37 C LIG 1 4.568 1.875 -0.537 0.00 0.00 +0.107 C ATOM 38 C LIG 1 5.302 1.757 -1.877 0.00 0.00 +0.055 C ATOM 39 C LIG 1 5.595 2.183 0.564 0.00 0.00 +0.055 C ATOM 40 C LIG 1 3.520 2.994 -0.558 0.00 0.00 +0.055 C ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 31 32 ENDBRANCH 11 31 TORSDOF 8