REMARK Name = BDB000014 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.673 -1.053 -0.202 0.00 0.00 -0.313 N ATOM 2 H LIG 1 0.386 -0.127 0.134 0.00 0.00 +0.152 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -0.291 -1.683 -1.000 0.00 0.00 +0.044 A ATOM 4 C LIG 1 -1.560 -1.142 -1.151 0.00 0.00 +0.071 A ATOM 5 C LIG 1 -2.138 0.074 -0.581 0.00 0.00 +0.256 C ATOM 6 N LIG 1 -3.417 0.171 -1.056 0.00 0.00 -0.222 N ATOM 7 C LIG 1 -3.740 -0.908 -1.834 0.00 0.00 +0.255 C ATOM 8 O LIG 1 -4.797 -1.169 -2.376 0.00 0.00 -0.270 OA ATOM 9 O LIG 1 -1.542 0.815 0.179 0.00 0.00 -0.269 OA ATOM 10 C LIG 1 -2.543 -1.740 -1.921 0.00 0.00 +0.051 A ATOM 11 C LIG 1 -2.325 -2.917 -2.606 0.00 0.00 +0.014 A ATOM 12 C LIG 1 -1.053 -3.482 -2.499 0.00 0.00 +0.003 A ATOM 13 C LIG 1 -0.052 -2.870 -1.710 0.00 0.00 +0.024 A BRANCH 6 14 ATOM 14 C LIG 1 -4.399 1.152 -0.623 0.00 0.00 +0.171 C ATOM 15 C LIG 1 -4.876 0.797 0.790 0.00 0.00 +0.240 C ATOM 16 O LIG 1 -4.803 -0.331 1.274 0.00 0.00 -0.273 OA ATOM 17 N LIG 1 -5.473 1.821 1.491 0.00 0.00 -0.255 N ATOM 18 H LIG 1 -5.807 1.588 2.416 0.00 0.00 +0.158 HD ATOM 19 C LIG 1 -5.559 3.146 1.140 0.00 0.00 +0.219 C ATOM 20 O LIG 1 -6.087 3.965 1.886 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 -5.035 3.521 -0.228 0.00 0.00 +0.098 C ATOM 22 C LIG 1 -3.906 2.596 -0.662 0.00 0.00 +0.041 C ENDBRANCH 6 14 ENDBRANCH 1 3 BRANCH 1 24 ATOM 23 C LIG 1 2.843 -0.673 0.870 0.00 0.00 +0.005 A ATOM 24 C LIG 1 1.774 -1.552 0.541 0.00 0.00 +0.041 A ATOM 25 C LIG 1 1.828 -2.904 0.933 0.00 0.00 +0.051 A ATOM 26 C LIG 1 2.946 -3.340 1.655 0.00 0.00 +0.070 A ATOM 27 C LIG 1 4.000 -2.498 1.988 0.00 0.00 +0.090 A ATOM 28 N LIG 1 4.968 -3.173 2.691 0.00 0.00 -0.236 NA ATOM 29 C LIG 1 4.519 -4.403 2.800 0.00 0.00 +0.200 A ATOM 30 N LIG 1 3.304 -4.550 2.196 0.00 0.00 -0.333 N ATOM 31 C LIG 1 2.535 -5.766 2.140 0.00 0.00 +0.150 C ATOM 32 C LIG 1 3.954 -1.154 1.598 0.00 0.00 +0.040 A BRANCH 23 37 ATOM 33 C LIG 1 2.824 3.461 -0.331 0.00 0.00 +0.155 A ATOM 34 C LIG 1 2.661 3.097 1.009 0.00 0.00 +0.165 A ATOM 35 F LIG 1 2.494 4.043 1.947 0.00 0.00 -0.202 F ATOM 36 C LIG 1 2.669 1.762 1.409 0.00 0.00 +0.050 A ATOM 37 C LIG 1 2.838 0.744 0.464 0.00 0.00 -0.013 A ATOM 38 C LIG 1 3.002 1.108 -0.883 0.00 0.00 +0.012 A ATOM 39 C LIG 1 2.994 2.452 -1.279 0.00 0.00 +0.049 A BRANCH 33 41 ATOM 40 C LIG 1 3.005 5.208 -1.939 0.00 0.00 +0.277 C ATOM 41 O LIG 1 2.797 4.804 -0.592 0.00 0.00 -0.492 OA ENDBRANCH 33 41 ENDBRANCH 23 37 ENDBRANCH 1 24 TORSDOF 5