REMARK Name = BDB010385 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.586 -1.617 0.826 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.293 -1.128 0.627 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.659 -1.309 1.614 0.00 0.00 +0.185 A ATOM 4 N LIG 1 1.852 -0.765 1.269 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.719 -0.330 0.036 0.00 0.00 +0.201 A ATOM 6 N LIG 1 0.445 -1.939 2.779 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -0.806 -2.405 2.874 0.00 0.00 +0.203 A ATOM 8 N LIG 1 0.391 -0.447 -0.367 0.00 0.00 -0.307 N ATOM 9 N LIG 1 -1.802 -2.280 1.980 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -1.115 -3.130 4.126 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -0.149 -3.292 5.046 0.00 0.00 -0.269 N ATOM 12 H LIG 1 0.803 -2.969 4.992 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -0.693 -3.969 6.065 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -0.122 -4.304 7.091 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -2.008 -4.226 5.764 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -2.247 -3.653 4.473 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 5 17 ATOM 17 N LIG 1 2.738 0.206 -0.693 0.00 0.00 -0.289 N ATOM 18 C LIG 1 3.896 0.789 0.032 0.00 0.00 +0.132 C ATOM 19 C LIG 1 4.479 1.924 -0.864 0.00 0.00 +0.187 C ATOM 20 O LIG 1 4.897 1.529 -2.182 0.00 0.00 -0.376 OA ATOM 21 C LIG 1 4.331 0.289 -2.616 0.00 0.00 +0.179 C ATOM 22 C LIG 1 2.882 0.083 -2.148 0.00 0.00 +0.136 C BRANCH 18 23 ATOM 23 C LIG 1 4.959 -0.220 0.490 0.00 0.00 -0.025 A ATOM 24 C LIG 1 6.096 0.242 1.182 0.00 0.00 +0.007 A ATOM 25 C LIG 1 7.084 -0.641 1.628 0.00 0.00 +0.020 A ATOM 26 C LIG 1 6.945 -2.006 1.403 0.00 0.00 +0.041 A ATOM 27 CL LIG 1 8.158 -3.094 1.952 0.00 0.00 -0.084 Cl ATOM 28 C LIG 1 5.823 -2.494 0.743 0.00 0.00 +0.020 A ATOM 29 C LIG 1 4.837 -1.608 0.296 0.00 0.00 +0.007 A ENDBRANCH 18 23 ENDBRANCH 5 17 BRANCH 1 30 ATOM 30 N LIG 1 -2.623 -1.454 -0.092 0.00 0.00 -0.324 N ATOM 31 H LIG 1 -2.682 -0.479 -0.361 0.00 0.00 +0.148 HD BRANCH 30 33 ATOM 32 C LIG 1 -3.993 -3.492 -0.022 0.00 0.00 +0.028 C ATOM 33 C LIG 1 -3.942 -1.992 0.280 0.00 0.00 +0.072 C BRANCH 33 34 ATOM 34 C LIG 1 -5.019 -1.286 -0.556 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -5.267 0.217 -0.242 0.00 0.00 +0.005 C ATOM 36 C LIG 1 -6.760 -0.044 -0.524 0.00 0.00 +0.001 C ATOM 37 C LIG 1 -6.501 -1.514 -0.141 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 30 33 ENDBRANCH 1 30 BRANCH 8 38 ATOM 38 C LIG 1 -0.204 0.125 -1.562 0.00 0.00 +0.128 C BRANCH 38 39 ATOM 39 C LIG 1 -0.280 1.665 -1.550 0.00 0.00 +0.009 C ATOM 40 C LIG 1 -1.145 2.212 -0.398 0.00 0.00 +0.005 C ATOM 41 C LIG 1 -1.872 3.517 -0.733 0.00 0.00 +0.003 C ATOM 42 C LIG 1 -1.088 4.435 -1.673 0.00 0.00 -0.014 C ATOM 43 C LIG 1 0.141 5.030 -0.980 0.00 0.00 +0.007 C ATOM 44 C LIG 1 -0.708 3.715 -2.980 0.00 0.00 +0.003 C ATOM 45 C LIG 1 -0.779 2.187 -2.901 0.00 0.00 +0.005 C ENDBRANCH 38 39 ENDBRANCH 8 38 TORSDOF 8