REMARK Name = BDB043134 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.769 -2.556 0.189 0.00 0.00 +0.092 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -2.085 -3.241 0.055 0.00 0.00 -0.339 N ATOM 3 H LIG 1 -2.411 -3.166 -0.916 0.00 0.00 +0.146 HD BRANCH 2 4 ATOM 4 C LIG 1 -3.117 -2.818 0.921 0.00 0.00 +0.038 A ATOM 5 C LIG 1 -4.429 -2.590 0.447 0.00 0.00 +0.043 A ATOM 6 C LIG 1 -5.453 -2.192 1.323 0.00 0.00 +0.013 A ATOM 7 C LIG 1 -5.196 -2.070 2.687 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -3.922 -2.344 3.176 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -2.898 -2.722 2.303 0.00 0.00 +0.023 A BRANCH 5 10 ATOM 10 C LIG 1 -4.721 -2.677 -1.008 0.00 0.00 +0.195 C ATOM 11 O LIG 1 -3.912 -2.206 -1.809 0.00 0.00 -0.287 OA BRANCH 10 12 ATOM 12 C LIG 1 -5.960 -3.324 -1.510 0.00 0.00 +0.022 A ATOM 13 C LIG 1 -6.551 -4.399 -0.835 0.00 0.00 +0.012 A ATOM 14 C LIG 1 -7.710 -4.988 -1.346 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -8.273 -4.514 -2.531 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -7.675 -3.454 -3.214 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -6.517 -2.863 -2.709 0.00 0.00 +0.012 A ENDBRANCH 10 12 ENDBRANCH 5 10 ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 C LIG 1 0.300 -3.636 0.459 0.00 0.00 +0.059 C BRANCH 18 22 ATOM 19 C LIG 1 4.212 -1.967 1.257 0.00 0.00 +0.121 A ATOM 20 C LIG 1 3.977 -2.705 0.094 0.00 0.00 +0.046 A ATOM 21 C LIG 1 2.721 -3.258 -0.162 0.00 0.00 +0.007 A ATOM 22 C LIG 1 1.674 -3.079 0.748 0.00 0.00 -0.045 A ATOM 23 C LIG 1 1.919 -2.359 1.925 0.00 0.00 +0.007 A ATOM 24 C LIG 1 3.179 -1.808 2.178 0.00 0.00 +0.046 A BRANCH 19 25 ATOM 25 O LIG 1 5.475 -1.459 1.355 0.00 0.00 -0.492 OA BRANCH 25 26 ATOM 26 C LIG 1 5.795 -0.585 2.442 0.00 0.00 +0.235 C BRANCH 26 27 ATOM 27 C LIG 1 5.284 0.841 2.222 0.00 0.00 +0.100 C BRANCH 27 30 ATOM 28 C LIG 1 4.492 1.084 -1.044 0.00 0.00 +0.088 C ATOM 29 C LIG 1 5.608 1.604 -0.234 0.00 0.00 +0.126 A ATOM 30 C LIG 1 5.969 1.525 1.094 0.00 0.00 +0.086 A ATOM 31 N LIG 1 7.144 2.216 1.294 0.00 0.00 -0.214 NA ATOM 32 C LIG 1 7.457 2.678 0.097 0.00 0.00 +0.228 A ATOM 33 O LIG 1 6.559 2.340 -0.883 0.00 0.00 -0.440 OA BRANCH 32 34 ATOM 34 C LIG 1 8.606 3.483 -0.309 0.00 0.00 +0.037 A ATOM 35 C LIG 1 8.792 3.898 -1.637 0.00 0.00 +0.013 A ATOM 36 C LIG 1 9.902 4.667 -1.997 0.00 0.00 +0.001 A ATOM 37 C LIG 1 10.841 5.032 -1.034 0.00 0.00 +0.000 A ATOM 38 C LIG 1 10.672 4.628 0.288 0.00 0.00 +0.001 A ATOM 39 C LIG 1 9.562 3.859 0.647 0.00 0.00 +0.013 A ENDBRANCH 32 34 ENDBRANCH 27 30 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 19 25 ENDBRANCH 18 22 ENDBRANCH 1 18 BRANCH 1 40 ATOM 40 C LIG 1 -0.468 -1.775 -1.119 0.00 0.00 +0.126 C BRANCH 40 41 ATOM 41 N LIG 1 -1.446 -0.724 -1.367 0.00 0.00 -0.313 N ATOM 42 H LIG 1 -2.372 -1.015 -1.683 0.00 0.00 +0.149 HD ATOM 43 C LIG 1 -1.311 0.513 -0.771 0.00 0.00 +0.216 C ATOM 44 O LIG 1 -0.334 0.815 -0.091 0.00 0.00 -0.276 OA BRANCH 43 45 ATOM 45 C LIG 1 -2.481 1.464 -1.031 0.00 0.00 +0.075 C ATOM 46 C LIG 1 -2.110 2.919 -0.690 0.00 0.00 +0.013 C ATOM 47 C LIG 1 -2.420 3.261 0.766 0.00 0.00 +0.005 C ATOM 48 C LIG 1 -3.918 3.115 1.101 0.00 0.00 +0.003 C ATOM 49 C LIG 1 -4.632 2.137 0.149 0.00 0.00 +0.005 C ATOM 50 C LIG 1 -3.725 0.985 -0.268 0.00 0.00 +0.013 C BRANCH 48 51 ATOM 51 C LIG 1 -4.609 4.492 1.116 0.00 0.00 +0.081 C BRANCH 51 52 ATOM 52 N LIG 1 -6.004 4.397 1.538 0.00 0.00 -0.330 NA ATOM 53 H LIG 1 -6.404 5.333 1.586 0.00 0.00 +0.118 HD ATOM 54 H LIG 1 -6.046 4.021 2.484 0.00 0.00 +0.118 HD ENDBRANCH 51 52 ENDBRANCH 48 51 ENDBRANCH 43 45 ENDBRANCH 40 41 ENDBRANCH 1 40 TORSDOF 16