REMARK Name = BDB021066 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.309 -0.294 -0.060 0.00 0.00 +0.090 A ATOM 2 C LIG 1 2.337 -1.017 0.624 0.00 0.00 +0.078 A ATOM 3 C LIG 1 0.998 -0.814 0.280 0.00 0.00 +0.031 A ATOM 4 C LIG 1 0.631 0.100 -0.733 0.00 0.00 +0.011 A ATOM 5 C LIG 1 1.687 0.793 -1.355 0.00 0.00 +0.072 A ATOM 6 C LIG 1 1.397 1.711 -2.354 0.00 0.00 +0.028 A ATOM 7 C LIG 1 0.089 1.964 -2.765 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -0.962 1.287 -2.161 0.00 0.00 +0.011 A ATOM 9 C LIG 1 -0.709 0.362 -1.139 0.00 0.00 +0.011 A ATOM 10 N LIG 1 2.978 0.609 -1.023 0.00 0.00 -0.245 NA ENDROOT BRANCH 9 11 ATOM 11 C LIG 1 -1.836 -0.330 -0.537 0.00 0.00 +0.094 A ATOM 12 C LIG 1 -2.918 0.258 0.088 0.00 0.00 +0.064 A ATOM 13 C LIG 1 -3.285 1.670 0.396 0.00 0.00 +0.164 C ATOM 14 N LIG 1 -4.703 1.736 0.751 0.00 0.00 -0.278 N ATOM 15 C LIG 1 -5.128 0.728 1.730 0.00 0.00 +0.131 C ATOM 16 C LIG 1 -4.989 -0.671 1.129 0.00 0.00 +0.142 C ATOM 17 C LIG 1 -5.561 2.351 -0.149 0.00 0.00 +0.302 C ATOM 18 N LIG 1 -6.881 2.346 0.232 0.00 0.00 -0.302 N ATOM 19 H LIG 1 -7.009 2.524 1.216 0.00 0.00 +0.150 HD ATOM 20 C LIG 1 -7.861 2.968 -0.627 0.00 0.00 +0.129 C ATOM 21 O LIG 1 -5.187 2.860 -1.201 0.00 0.00 -0.253 OA ATOM 22 N LIG 1 -3.702 -0.806 0.473 0.00 0.00 -0.328 N ATOM 23 C LIG 1 -3.079 -1.960 0.096 0.00 0.00 +0.114 A ATOM 24 N LIG 1 -1.935 -1.702 -0.498 0.00 0.00 -0.232 NA BRANCH 23 25 ATOM 25 C LIG 1 -3.611 -3.401 0.328 0.00 0.00 +0.055 C ATOM 26 C LIG 1 -4.808 -3.874 -0.457 0.00 0.00 +0.012 C ATOM 27 C LIG 1 -3.445 -4.418 -0.771 0.00 0.00 +0.012 C ENDBRANCH 23 25 ENDBRANCH 9 11 BRANCH 1 31 ATOM 28 C LIG 1 7.504 -0.426 0.611 0.00 0.00 +0.125 A ATOM 29 N LIG 1 6.872 0.771 0.568 0.00 0.00 -0.250 NA ATOM 30 C LIG 1 5.534 0.755 0.343 0.00 0.00 +0.121 A ATOM 31 C LIG 1 4.758 -0.394 0.175 0.00 0.00 +0.020 A ATOM 32 C LIG 1 5.451 -1.610 0.212 0.00 0.00 +0.014 A ATOM 33 C LIG 1 6.830 -1.630 0.435 0.00 0.00 +0.033 A BRANCH 28 37 ATOM 34 C LIG 1 9.301 2.052 1.036 0.00 0.00 +0.128 C ATOM 35 N LIG 1 9.736 0.677 1.035 0.00 0.00 -0.313 N ATOM 36 H LIG 1 10.719 0.487 1.181 0.00 0.00 +0.149 HD ATOM 37 C LIG 1 8.989 -0.465 0.850 0.00 0.00 +0.262 C ATOM 38 O LIG 1 9.574 -1.549 0.883 0.00 0.00 -0.269 OA ENDBRANCH 28 37 ENDBRANCH 1 31 BRANCH 2 39 ATOM 39 C LIG 1 2.650 -1.926 1.683 0.00 0.00 +0.101 C ATOM 40 N LIG 1 2.896 -2.665 2.543 0.00 0.00 -0.191 NA ENDBRANCH 2 39 TORSDOF 5