REMARK Name = BDB010852 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.703 0.116 0.949 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.499 0.758 1.223 0.00 0.00 +0.128 A ATOM 3 C LIG 1 -0.346 1.469 2.402 0.00 0.00 +0.184 A ATOM 4 N LIG 1 0.869 2.080 2.470 0.00 0.00 -0.212 NA ATOM 5 C LIG 1 1.488 1.742 1.358 0.00 0.00 +0.123 A ATOM 6 N LIG 1 -1.286 1.565 3.354 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -2.396 0.885 3.033 0.00 0.00 +0.203 A ATOM 8 N LIG 1 0.727 0.875 0.604 0.00 0.00 -0.323 N ATOM 9 N LIG 1 -2.647 0.188 1.907 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -3.476 0.932 4.044 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -3.275 1.610 5.186 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -2.446 2.114 5.456 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -4.395 1.494 5.910 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -4.591 1.980 7.012 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -5.293 0.734 5.202 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -4.646 0.384 3.973 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 5 17 ATOM 17 C LIG 1 2.908 2.323 0.987 0.00 0.00 +0.057 C ATOM 18 C LIG 1 4.128 1.487 1.300 0.00 0.00 +0.021 C ATOM 19 C LIG 1 3.825 2.687 2.141 0.00 0.00 +0.021 C BRANCH 17 20 ATOM 20 C LIG 1 2.922 3.291 -0.225 0.00 0.00 +0.003 A ATOM 21 C LIG 1 2.316 4.520 -0.291 0.00 0.00 +0.112 A ATOM 22 N LIG 1 2.586 4.990 -1.543 0.00 0.00 -0.274 N ATOM 23 C LIG 1 2.175 6.254 -2.103 0.00 0.00 +0.172 C ATOM 24 N LIG 1 3.311 4.134 -2.293 0.00 0.00 -0.180 NA ATOM 25 C LIG 1 3.530 3.101 -1.474 0.00 0.00 +0.139 A ENDBRANCH 17 20 ENDBRANCH 5 17 BRANCH 1 26 ATOM 26 N LIG 1 -1.942 -0.559 -0.246 0.00 0.00 -0.324 N ATOM 27 H LIG 1 -1.649 0.013 -1.030 0.00 0.00 +0.148 HD BRANCH 26 29 ATOM 28 C LIG 1 -3.348 -2.498 0.286 0.00 0.00 +0.028 C ATOM 29 C LIG 1 -3.273 -1.149 -0.437 0.00 0.00 +0.072 C BRANCH 29 30 ATOM 30 C LIG 1 -3.504 -1.386 -1.935 0.00 0.00 +0.009 C ATOM 31 C LIG 1 -3.683 -0.118 -2.819 0.00 0.00 +0.005 C ATOM 32 C LIG 1 -4.709 -0.922 -3.641 0.00 0.00 +0.001 C ATOM 33 C LIG 1 -4.944 -1.774 -2.378 0.00 0.00 +0.005 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 1 26 BRANCH 8 34 ATOM 34 C LIG 1 1.141 0.218 -0.623 0.00 0.00 +0.127 C BRANCH 34 35 ATOM 35 C LIG 1 1.302 -1.311 -0.507 0.00 0.00 +0.009 C ATOM 36 C LIG 1 2.510 -1.696 0.360 0.00 0.00 +0.005 C ATOM 37 C LIG 1 2.707 -3.210 0.417 0.00 0.00 +0.003 C ATOM 38 C LIG 1 2.833 -3.820 -0.983 0.00 0.00 -0.014 C ATOM 39 C LIG 1 2.978 -5.338 -0.900 0.00 0.00 +0.007 C ATOM 40 C LIG 1 1.629 -3.438 -1.851 0.00 0.00 +0.003 C ATOM 41 C LIG 1 1.433 -1.925 -1.910 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 8