REMARK Name = BDB031865 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.786 -1.617 -2.285 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -2.227 -2.233 -1.149 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -0.989 -1.781 -0.681 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -0.262 -0.773 -1.299 0.00 0.00 +0.041 A ATOM 5 C LIG 1 0.914 -0.612 -0.499 0.00 0.00 +0.154 A ATOM 6 N LIG 1 0.915 -1.475 0.522 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 -0.793 -0.183 -2.462 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -0.232 -2.151 0.394 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -0.443 -2.863 1.083 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -2.041 -0.617 -2.934 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -5.060 0.005 1.404 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -4.777 -0.268 0.061 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -5.469 -1.289 -0.580 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -5.406 -1.861 -1.969 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -4.146 -2.038 -2.795 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -6.463 -2.941 -1.969 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -7.026 -2.960 -0.705 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -7.764 -3.595 -0.446 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -6.747 -3.651 -2.919 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -5.180 -0.995 -3.175 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -6.454 -1.995 0.127 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -6.777 -1.736 1.441 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -6.062 -0.720 2.079 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -3.243 1.519 1.632 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -4.437 0.956 2.167 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 1.869 0.291 -0.816 0.00 0.00 -0.280 N ATOM 27 H LIG 1 1.752 0.866 -1.641 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 2.920 0.819 -0.028 0.00 0.00 +0.166 A ATOM 29 C LIG 1 3.906 1.588 -0.692 0.00 0.00 +0.161 A ATOM 30 C LIG 1 4.987 2.078 0.042 0.00 0.00 +0.063 A ATOM 31 C LIG 1 5.069 1.785 1.402 0.00 0.00 +0.059 A ATOM 32 C LIG 1 4.044 1.065 1.988 0.00 0.00 +0.126 A ATOM 33 N LIG 1 2.991 0.570 1.301 0.00 0.00 -0.236 NA BRANCH 31 34 ATOM 34 C LIG 1 6.187 2.313 2.204 0.00 0.00 +0.248 C ATOM 35 N LIG 1 6.872 1.462 3.069 0.00 0.00 -0.304 N ATOM 36 C LIG 1 7.856 2.046 3.966 0.00 0.00 +0.132 C ATOM 37 C LIG 1 6.890 0.008 2.963 0.00 0.00 +0.132 C ATOM 38 O LIG 1 6.456 3.506 2.071 0.00 0.00 -0.270 OA ENDBRANCH 31 34 BRANCH 29 39 ATOM 39 O LIG 1 3.700 1.808 -2.034 0.00 0.00 -0.492 OA ATOM 40 C LIG 1 4.703 2.539 -2.730 0.00 0.00 +0.277 C ENDBRANCH 29 39 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6