REMARK Name = BDB023697 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.134 -1.378 -0.832 0.00 0.00 +0.109 C ATOM 2 N LIG 1 0.652 -0.367 -0.318 0.00 0.00 -0.316 N ATOM 3 H LIG 1 0.125 0.300 0.257 0.00 0.00 +0.148 HD ATOM 4 C LIG 1 1.425 0.196 -1.431 0.00 0.00 +0.134 C ATOM 5 C LIG 1 0.806 1.535 -1.849 0.00 0.00 +0.047 C ATOM 6 C LIG 1 1.088 -0.850 -2.536 0.00 0.00 +0.265 C ATOM 7 O LIG 1 1.579 -0.887 -3.657 0.00 0.00 -0.271 OA ATOM 8 N LIG 1 0.099 -1.710 -2.075 0.00 0.00 -0.166 NA ENDROOT BRANCH 1 11 ATOM 9 C LIG 1 -2.665 0.075 0.011 0.00 0.00 +0.227 C ATOM 10 N LIG 1 -2.506 -1.260 -0.320 0.00 0.00 -0.289 N ATOM 11 C LIG 1 -1.267 -1.975 0.003 0.00 0.00 +0.139 C ATOM 12 C LIG 1 -1.536 -3.445 -0.334 0.00 0.00 +0.062 C ATOM 13 C LIG 1 -3.050 -3.563 -0.265 0.00 0.00 +0.134 C ATOM 14 C LIG 1 -3.541 -2.196 -0.743 0.00 0.00 +0.139 C ATOM 15 O LIG 1 -1.716 0.722 0.469 0.00 0.00 -0.275 OA BRANCH 13 16 ATOM 16 O LIG 1 -3.463 -3.782 1.082 0.00 0.00 -0.390 OA ATOM 17 H LIG 1 -3.100 -4.637 1.371 0.00 0.00 +0.210 HD ENDBRANCH 13 16 BRANCH 9 18 ATOM 18 C LIG 1 -4.029 0.732 -0.267 0.00 0.00 +0.146 C BRANCH 18 23 ATOM 19 C LIG 1 -7.814 -0.256 3.033 0.00 0.00 +0.069 C ATOM 20 C LIG 1 -6.544 0.065 2.346 0.00 0.00 +0.081 A ATOM 21 N LIG 1 -5.438 0.310 3.058 0.00 0.00 -0.083 NA ATOM 22 O LIG 1 -4.443 0.566 2.133 0.00 0.00 -0.359 OA ATOM 23 C LIG 1 -4.957 0.478 0.875 0.00 0.00 +0.150 A ATOM 24 C LIG 1 -6.293 0.162 0.960 0.00 0.00 +0.071 A ENDBRANCH 18 23 BRANCH 18 25 ATOM 25 C LIG 1 -3.886 2.240 -0.618 0.00 0.00 +0.002 C ATOM 26 C LIG 1 -5.101 2.736 -1.415 0.00 0.00 +0.008 C ATOM 27 C LIG 1 -3.657 3.171 0.580 0.00 0.00 +0.008 C ENDBRANCH 18 25 ENDBRANCH 9 18 ENDBRANCH 1 11 BRANCH 4 28 ATOM 28 C LIG 1 2.906 0.211 -1.064 0.00 0.00 -0.016 A ATOM 29 C LIG 1 3.543 -0.978 -0.658 0.00 0.00 +0.007 A ATOM 30 C LIG 1 4.900 -0.998 -0.318 0.00 0.00 +0.009 A ATOM 31 C LIG 1 5.667 0.171 -0.368 0.00 0.00 -0.016 A ATOM 32 C LIG 1 5.042 1.358 -0.771 0.00 0.00 +0.009 A ATOM 33 C LIG 1 3.684 1.379 -1.111 0.00 0.00 +0.007 A BRANCH 31 34 ATOM 34 C LIG 1 7.090 0.152 -0.018 0.00 0.00 +0.003 A ATOM 35 C LIG 1 7.561 0.378 1.286 0.00 0.00 +0.046 A ATOM 36 C LIG 1 6.619 0.656 2.424 0.00 0.00 +0.066 C ATOM 37 N LIG 1 8.882 0.360 1.608 0.00 0.00 -0.260 NA ATOM 38 C LIG 1 9.765 0.113 0.618 0.00 0.00 +0.111 A ATOM 39 C LIG 1 9.401 -0.121 -0.694 0.00 0.00 +0.020 A ATOM 40 C LIG 1 8.047 -0.100 -1.011 0.00 0.00 +0.012 A ENDBRANCH 31 34 ENDBRANCH 4 28 TORSDOF 7