REMARK Name = BDB032270 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.595 -0.925 -2.894 0.00 0.00 -0.340 N ATOM 2 H LIG 1 -1.867 0.031 -2.672 0.00 0.00 +0.146 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -2.289 -1.844 -2.096 0.00 0.00 +0.028 A ATOM 4 C LIG 1 -3.340 -1.389 -1.284 0.00 0.00 +0.033 A ATOM 5 C LIG 1 -4.096 -2.250 -0.451 0.00 0.00 +0.008 A ATOM 6 C LIG 1 -3.801 -3.628 -0.501 0.00 0.00 +0.002 A ATOM 7 C LIG 1 -4.559 -4.490 0.292 0.00 0.00 +0.119 A ATOM 8 N LIG 1 -5.558 -4.101 1.113 0.00 0.00 -0.261 NA ATOM 9 C LIG 1 -5.816 -2.773 1.143 0.00 0.00 +0.134 A ATOM 10 C LIG 1 -2.781 -4.101 -1.343 0.00 0.00 +0.012 A ATOM 11 C LIG 1 -5.137 -1.795 0.405 0.00 0.00 +0.056 A ATOM 12 C LIG 1 -2.041 -3.217 -2.133 0.00 0.00 +0.023 A BRANCH 11 13 ATOM 13 N LIG 1 -5.426 -0.415 0.519 0.00 0.00 -0.328 N ATOM 14 C LIG 1 -6.843 -0.056 0.607 0.00 0.00 +0.105 C ATOM 15 C LIG 1 -6.997 1.430 0.275 0.00 0.00 +0.019 C ATOM 16 C LIG 1 -5.869 2.296 0.846 0.00 0.00 +0.003 C ATOM 17 C LIG 1 -5.127 1.586 1.971 0.00 0.00 +0.019 C ATOM 18 C LIG 1 -4.546 0.245 1.506 0.00 0.00 +0.105 C ENDBRANCH 11 13 ENDBRANCH 1 3 BRANCH 1 19 ATOM 19 C LIG 1 -0.142 -1.042 -3.006 0.00 0.00 +0.138 C BRANCH 19 23 ATOM 20 C LIG 1 1.815 1.066 0.146 0.00 0.00 +0.119 A ATOM 21 N LIG 1 1.684 1.651 -1.059 0.00 0.00 -0.240 NA ATOM 22 C LIG 1 1.062 0.948 -2.034 0.00 0.00 +0.118 A ATOM 23 C LIG 1 0.546 -0.331 -1.873 0.00 0.00 -0.012 A ATOM 24 C LIG 1 0.672 -0.905 -0.609 0.00 0.00 +0.010 A ATOM 25 C LIG 1 1.310 -0.200 0.410 0.00 0.00 +0.044 A BRANCH 20 26 ATOM 26 N LIG 1 2.464 1.829 1.113 0.00 0.00 -0.329 N ATOM 27 H LIG 1 2.696 2.698 0.631 0.00 0.00 +0.147 HD BRANCH 26 28 ATOM 28 C LIG 1 3.631 1.221 1.751 0.00 0.00 +0.106 C BRANCH 28 33 ATOM 29 C LIG 1 8.681 1.318 -0.966 0.00 0.00 +0.104 C ATOM 30 N LIG 1 7.314 1.237 -0.460 0.00 0.00 -0.305 NA ATOM 31 C LIG 1 6.847 2.521 0.054 0.00 0.00 +0.084 C ATOM 32 C LIG 1 5.336 2.475 0.315 0.00 0.00 +0.020 C ATOM 33 C LIG 1 4.837 1.099 0.805 0.00 0.00 +0.008 C ATOM 34 C LIG 1 5.986 0.345 1.484 0.00 0.00 +0.020 C ATOM 35 C LIG 1 7.180 0.164 0.534 0.00 0.00 +0.084 C ENDBRANCH 28 33 ENDBRANCH 26 28 ENDBRANCH 20 26 ENDBRANCH 19 23 ENDBRANCH 1 19 TORSDOF 7