REMARK Name = BDB055616 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.884 -1.034 1.153 0.00 0.00 +0.241 C ATOM 2 N LIG 1 0.910 -2.012 0.955 0.00 0.00 -0.285 N ATOM 3 C LIG 1 -0.247 -1.837 0.054 0.00 0.00 +0.176 C ATOM 4 C LIG 1 -0.885 -3.172 -0.407 0.00 0.00 +0.116 C ATOM 5 N LIG 1 -0.955 -4.277 0.556 0.00 0.00 -0.296 NA ATOM 6 C LIG 1 0.273 -4.399 1.360 0.00 0.00 +0.074 C ATOM 7 C LIG 1 -0.157 -5.382 2.443 0.00 0.00 +0.022 C ATOM 8 C LIG 1 -1.657 -5.154 2.618 0.00 0.00 +0.017 C ATOM 9 C LIG 1 -2.059 -4.191 1.508 0.00 0.00 +0.085 C ATOM 10 C LIG 1 0.786 -3.071 1.958 0.00 0.00 +0.127 C ATOM 11 O LIG 1 2.748 -1.148 2.033 0.00 0.00 -0.273 OA ENDROOT BRANCH 3 12 ATOM 12 C LIG 1 -1.311 -0.896 0.659 0.00 0.00 +0.235 C ATOM 13 N LIG 1 -2.094 -0.257 -0.280 0.00 0.00 -0.307 N ATOM 14 H LIG 1 -1.913 -0.381 -1.269 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 -1.444 -0.709 1.865 0.00 0.00 -0.274 OA BRANCH 13 16 ATOM 16 C LIG 1 -3.058 0.768 0.097 0.00 0.00 +0.110 C ATOM 17 C LIG 1 -3.211 1.744 -1.039 0.00 0.00 +0.014 A ATOM 18 C LIG 1 -4.355 1.734 -1.843 0.00 0.00 +0.125 A ATOM 19 C LIG 1 -4.490 2.651 -2.886 0.00 0.00 +0.046 A ATOM 20 C LIG 1 -3.473 3.569 -3.150 0.00 0.00 +0.004 A ATOM 21 C LIG 1 -2.322 3.577 -2.365 0.00 0.00 +0.001 A ATOM 22 O LIG 1 -5.408 0.880 -1.656 0.00 0.00 -0.492 OA ATOM 23 C LIG 1 -5.139 -0.240 -0.808 0.00 0.00 +0.231 C ATOM 24 C LIG 1 -2.190 2.670 -1.313 0.00 0.00 +0.009 A ATOM 25 C LIG 1 -4.408 0.158 0.463 0.00 0.00 +0.068 C ENDBRANCH 13 16 ENDBRANCH 3 12 BRANCH 1 26 ATOM 26 C LIG 1 1.909 0.206 0.213 0.00 0.00 +0.190 C BRANCH 26 27 ATOM 27 C LIG 1 2.471 -0.089 -1.167 0.00 0.00 -0.018 A ATOM 28 C LIG 1 1.963 0.604 -2.280 0.00 0.00 +0.006 A ATOM 29 C LIG 1 2.460 0.360 -3.560 0.00 0.00 +0.000 A ATOM 30 C LIG 1 3.480 -0.570 -3.745 0.00 0.00 +0.000 A ATOM 31 C LIG 1 4.011 -1.248 -2.650 0.00 0.00 +0.000 A ATOM 32 C LIG 1 3.516 -1.005 -1.367 0.00 0.00 +0.006 A ENDBRANCH 26 27 BRANCH 26 34 ATOM 33 C LIG 1 2.348 2.572 0.798 0.00 0.00 +0.231 C ATOM 34 N LIG 1 2.701 1.246 0.852 0.00 0.00 -0.299 N ATOM 35 H LIG 1 3.435 0.928 1.477 0.00 0.00 +0.150 HD ATOM 36 O LIG 1 1.366 2.977 0.175 0.00 0.00 -0.274 OA BRANCH 33 37 ATOM 37 C LIG 1 3.277 3.506 1.603 0.00 0.00 +0.137 C ATOM 38 C LIG 1 2.870 3.462 3.073 0.00 0.00 +0.034 C BRANCH 37 40 ATOM 39 C LIG 1 3.869 5.075 -0.155 0.00 0.00 +0.101 C ATOM 40 N LIG 1 3.174 4.899 1.116 0.00 0.00 -0.309 NA ATOM 41 H LIG 1 2.180 5.095 0.967 0.00 0.00 +0.122 HD ENDBRANCH 37 40 ENDBRANCH 33 37 ENDBRANCH 26 34 ENDBRANCH 1 26 TORSDOF 7