REMARK Name = BDB034662 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.114 -0.057 1.346 0.00 0.00 +0.267 C ATOM 2 N LIG 1 1.496 -0.039 1.641 0.00 0.00 -0.292 N ATOM 3 O LIG 1 -0.733 -0.096 2.248 0.00 0.00 -0.268 OA ENDROOT BRANCH 2 4 ATOM 4 C LIG 1 2.633 0.086 0.694 0.00 0.00 +0.091 C ATOM 5 C LIG 1 3.019 -1.226 -0.010 0.00 0.00 +0.038 C ATOM 6 C LIG 1 4.204 -1.011 -0.963 0.00 0.00 +0.092 C ATOM 7 C LIG 1 3.987 0.209 -1.871 0.00 0.00 +0.094 C ATOM 8 N LIG 1 3.750 1.444 -1.109 0.00 0.00 -0.313 NA ATOM 9 H LIG 1 4.559 1.644 -0.520 0.00 0.00 +0.122 HD ATOM 10 C LIG 1 2.553 1.300 -0.266 0.00 0.00 +0.103 C BRANCH 6 11 ATOM 11 C LIG 1 4.480 -2.232 -1.767 0.00 0.00 +0.221 A ATOM 12 O LIG 1 3.519 -2.659 -2.648 0.00 0.00 -0.427 OA ATOM 13 C LIG 1 4.111 -3.767 -3.173 0.00 0.00 +0.332 A ATOM 14 N LIG 1 5.305 -4.002 -2.686 0.00 0.00 -0.116 NA ATOM 15 N LIG 1 5.548 -3.002 -1.767 0.00 0.00 -0.112 NA ENDBRANCH 6 11 ENDBRANCH 2 4 BRANCH 1 17 ATOM 16 C LIG 1 -1.565 0.827 -0.298 0.00 0.00 +0.059 A ATOM 17 C LIG 1 -0.430 0.030 -0.048 0.00 0.00 +0.146 A ATOM 18 N LIG 1 0.170 -0.733 -0.991 0.00 0.00 -0.248 NA ATOM 19 C LIG 1 -0.337 -0.671 -2.245 0.00 0.00 +0.115 A ATOM 20 C LIG 1 -1.418 0.112 -2.648 0.00 0.00 -0.024 A ATOM 21 C LIG 1 -2.015 0.871 -1.627 0.00 0.00 +0.030 A BRANCH 20 22 ATOM 22 C LIG 1 -1.947 0.179 -4.066 0.00 0.00 +0.021 C ATOM 23 C LIG 1 -1.919 -1.025 -4.976 0.00 0.00 +0.009 C ATOM 24 C LIG 1 -1.010 0.139 -5.249 0.00 0.00 +0.009 C ENDBRANCH 20 22 BRANCH 16 25 ATOM 25 N LIG 1 -2.159 1.643 0.705 0.00 0.00 -0.339 N ATOM 26 H LIG 1 -1.955 1.234 1.629 0.00 0.00 +0.146 HD BRANCH 25 29 ATOM 27 C LIG 1 -5.272 2.348 1.748 0.00 0.00 +0.121 C ATOM 28 C LIG 1 -3.858 2.947 1.947 0.00 0.00 +0.054 C ATOM 29 C LIG 1 -3.450 2.257 0.629 0.00 0.00 +0.075 C ATOM 30 C LIG 1 -4.611 1.267 0.860 0.00 0.00 +0.054 C BRANCH 27 32 ATOM 31 C LIG 1 -7.538 2.704 0.952 0.00 0.00 +0.194 C ATOM 32 O LIG 1 -6.223 3.221 1.095 0.00 0.00 -0.380 OA ENDBRANCH 27 32 ENDBRANCH 25 29 ENDBRANCH 16 25 ENDBRANCH 1 17 BRANCH 2 33 ATOM 33 C LIG 1 1.851 -0.073 3.071 0.00 0.00 +0.111 C BRANCH 33 34 ATOM 34 C LIG 1 2.418 -1.424 3.544 0.00 0.00 +0.000 C ATOM 35 C LIG 1 1.415 -2.564 3.364 0.00 0.00 +0.009 C ATOM 36 C LIG 1 2.835 -1.326 5.013 0.00 0.00 +0.009 C ENDBRANCH 33 34 ENDBRANCH 2 33 TORSDOF 9