REMARK Name = BDB010438 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.732 -1.254 0.716 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.500 -0.890 0.171 0.00 0.00 -0.318 N ATOM 3 C LIG 1 -0.490 -1.281 1.054 0.00 0.00 +0.128 A ATOM 4 C LIG 1 0.211 -1.769 2.142 0.00 0.00 +0.184 A ATOM 5 N LIG 1 -0.351 -2.203 3.281 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 -1.683 -2.095 3.263 0.00 0.00 +0.203 A ATOM 7 N LIG 1 -2.452 -1.645 2.258 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 -1.883 -1.242 1.102 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.551 -1.762 1.927 0.00 0.00 -0.206 NA ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 5.477 -1.121 0.278 0.00 0.00 -0.041 A ATOM 11 C LIG 1 4.216 -1.268 0.870 0.00 0.00 +0.035 A ATOM 12 C LIG 1 3.065 -1.091 0.103 0.00 0.00 +0.106 A ATOM 13 N LIG 1 3.113 -0.789 -1.214 0.00 0.00 -0.252 NA ATOM 14 C LIG 1 4.335 -0.652 -1.772 0.00 0.00 +0.112 A ATOM 15 C LIG 1 5.526 -0.804 -1.080 0.00 0.00 +0.023 A BRANCH 10 17 ATOM 16 C LIG 1 7.564 -0.025 1.168 0.00 0.00 +0.012 C ATOM 17 C LIG 1 6.732 -1.309 1.109 0.00 0.00 +0.013 C ATOM 18 C LIG 1 7.574 -2.481 0.597 0.00 0.00 +0.012 C ENDBRANCH 10 17 ENDBRANCH 1 12 BRANCH 6 19 ATOM 19 C LIG 1 -2.360 -2.531 4.467 0.00 0.00 +0.217 A ATOM 20 N LIG 1 -1.682 -3.002 5.555 0.00 0.00 -0.236 N ATOM 21 H LIG 1 -0.683 -3.111 5.679 0.00 0.00 +0.192 HD ATOM 22 N LIG 1 -2.535 -3.340 6.531 0.00 0.00 -0.046 NA ATOM 23 N LIG 1 -3.737 -3.075 6.039 0.00 0.00 -0.023 NA ATOM 24 N LIG 1 -3.647 -2.573 4.761 0.00 0.00 -0.105 NA ENDBRANCH 6 19 BRANCH 8 25 ATOM 25 N LIG 1 -2.676 -0.814 0.044 0.00 0.00 -0.324 N ATOM 26 H LIG 1 -2.375 -1.221 -0.833 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -4.136 -0.850 0.210 0.00 0.00 +0.072 C ATOM 28 C LIG 1 -4.658 -2.260 -0.067 0.00 0.00 +0.028 C BRANCH 27 29 ATOM 29 C LIG 1 -4.739 0.203 -0.732 0.00 0.00 +0.009 C ATOM 30 C LIG 1 -6.280 0.317 -0.912 0.00 0.00 +0.005 C ATOM 31 C LIG 1 -5.996 0.811 -2.348 0.00 0.00 +0.001 C ATOM 32 C LIG 1 -4.664 0.034 -2.277 0.00 0.00 +0.005 C ENDBRANCH 27 29 ENDBRANCH 25 27 ENDBRANCH 8 25 BRANCH 2 33 ATOM 33 C LIG 1 0.299 -0.162 -1.072 0.00 0.00 +0.127 C BRANCH 33 34 ATOM 34 C LIG 1 0.674 1.335 -1.009 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -0.304 2.163 -0.148 0.00 0.00 +0.005 C ATOM 36 C LIG 1 -1.427 2.776 -0.978 0.00 0.00 +0.003 C ATOM 37 C LIG 1 -0.892 3.739 -2.054 0.00 0.00 -0.014 C ATOM 38 C LIG 1 -0.961 5.193 -1.586 0.00 0.00 +0.007 C ATOM 39 C LIG 1 0.540 3.391 -2.494 0.00 0.00 +0.003 C ATOM 40 C LIG 1 0.782 1.888 -2.446 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 2 33 TORSDOF 8