REMARK Name = BDB023996 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.604 0.760 0.807 0.00 0.00 +0.003 A ATOM 2 C LIG 1 0.574 0.365 0.159 0.00 0.00 +0.023 A ATOM 3 C LIG 1 1.810 0.886 0.559 0.00 0.00 +0.038 A ATOM 4 C LIG 1 1.872 1.824 1.598 0.00 0.00 +0.013 A ATOM 5 C LIG 1 0.703 2.212 2.253 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -0.528 1.677 1.864 0.00 0.00 +0.010 A ENDROOT BRANCH 1 12 ATOM 7 C LIG 1 -6.795 4.093 -0.214 0.00 0.00 +0.109 C ATOM 8 C LIG 1 -5.362 3.803 0.150 0.00 0.00 +0.213 C ATOM 9 N LIG 1 -4.862 2.547 -0.169 0.00 0.00 -0.297 N ATOM 10 C LIG 1 -3.428 2.334 0.106 0.00 0.00 +0.146 C ATOM 11 C LIG 1 -3.098 0.882 0.095 0.00 0.00 +0.018 A ATOM 12 C LIG 1 -1.885 0.203 0.384 0.00 0.00 +0.098 A ATOM 13 N LIG 1 -2.024 -1.118 0.188 0.00 0.00 -0.170 NA ATOM 14 N LIG 1 -3.304 -1.291 -0.202 0.00 0.00 -0.262 N ATOM 15 C LIG 1 -3.980 -0.109 -0.284 0.00 0.00 +0.046 A ATOM 16 C LIG 1 -5.386 0.142 -0.691 0.00 0.00 +0.074 C ATOM 17 C LIG 1 -5.518 1.620 -1.117 0.00 0.00 +0.114 C ATOM 18 O LIG 1 -4.685 4.659 0.721 0.00 0.00 -0.276 OA BRANCH 14 19 ATOM 19 C LIG 1 -3.747 -2.641 -0.490 0.00 0.00 +0.135 C ATOM 20 C LIG 1 -4.199 -2.843 -1.931 0.00 0.00 +0.186 C ATOM 21 O LIG 1 -5.564 -3.292 -1.883 0.00 0.00 -0.378 OA ATOM 22 C LIG 1 -5.739 -3.926 -0.612 0.00 0.00 +0.162 C ATOM 23 C LIG 1 -4.918 -3.112 0.359 0.00 0.00 +0.057 C ENDBRANCH 14 19 ENDBRANCH 1 12 BRANCH 3 24 ATOM 24 C LIG 1 3.035 0.446 -0.161 0.00 0.00 +0.248 C ATOM 25 N LIG 1 4.132 0.233 0.654 0.00 0.00 -0.281 N ATOM 26 H LIG 1 3.974 0.287 1.652 0.00 0.00 +0.155 HD ATOM 27 O LIG 1 2.970 0.285 -1.373 0.00 0.00 -0.270 OA BRANCH 25 28 ATOM 28 C LIG 1 5.434 -0.145 0.261 0.00 0.00 +0.034 A ATOM 29 C LIG 1 6.362 -0.385 1.289 0.00 0.00 +0.035 A ATOM 30 C LIG 1 7.679 -0.760 0.965 0.00 0.00 +0.021 A ATOM 31 C LIG 1 8.852 -1.075 1.684 0.00 0.00 +0.143 A ATOM 32 N LIG 1 9.882 -1.375 0.889 0.00 0.00 -0.179 NA ATOM 33 N LIG 1 9.365 -1.258 -0.351 0.00 0.00 -0.267 N ATOM 34 C LIG 1 10.203 -1.512 -1.499 0.00 0.00 +0.173 C ATOM 35 C LIG 1 8.043 -0.886 -0.371 0.00 0.00 +0.069 A ATOM 36 C LIG 1 7.142 -0.649 -1.415 0.00 0.00 +0.030 A ATOM 37 C LIG 1 5.834 -0.276 -1.071 0.00 0.00 +0.025 A ENDBRANCH 25 28 ENDBRANCH 3 24 TORSDOF 4