REMARK Name = BDB046393 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.081 -0.451 1.352 0.00 0.00 +0.248 C ATOM 2 N LIG 1 -0.754 -0.687 1.104 0.00 0.00 -0.307 N ATOM 3 H LIG 1 -0.136 -0.320 1.817 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 -2.443 0.145 2.362 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 -4.845 -0.092 -1.154 0.00 0.00 -0.046 A ATOM 6 C LIG 1 -3.829 0.196 -0.238 0.00 0.00 +0.020 A ATOM 7 C LIG 1 -3.095 -0.843 0.353 0.00 0.00 +0.078 A ATOM 8 C LIG 1 -3.382 -2.186 0.068 0.00 0.00 +0.132 A ATOM 9 C LIG 1 -4.387 -2.466 -0.862 0.00 0.00 +0.046 A ATOM 10 C LIG 1 -5.111 -1.430 -1.467 0.00 0.00 +0.007 A BRANCH 8 11 ATOM 11 O LIG 1 -2.653 -3.135 0.733 0.00 0.00 -0.494 OA ATOM 12 C LIG 1 -3.050 -4.493 0.586 0.00 0.00 +0.277 C ENDBRANCH 8 11 BRANCH 5 13 ATOM 13 C LIG 1 -5.674 1.021 -1.752 0.00 0.00 +0.049 C BRANCH 13 14 ATOM 14 C LIG 1 -6.718 1.566 -0.764 0.00 0.00 +0.102 C BRANCH 14 16 ATOM 15 C LIG 1 -6.437 4.072 -1.189 0.00 0.00 +0.004 C ATOM 16 C LIG 1 -7.369 2.871 -1.261 0.00 0.00 +0.011 C ENDBRANCH 14 16 BRANCH 14 17 ATOM 17 C LIG 1 -7.806 0.523 -0.569 0.00 0.00 +0.308 C ATOM 18 O LIG 1 -8.751 0.362 -1.329 0.00 0.00 -0.251 OA BRANCH 17 19 ATOM 19 O LIG 1 -7.628 -0.253 0.524 0.00 0.00 -0.480 OA ATOM 20 H LIG 1 -6.798 -0.080 1.012 0.00 0.00 +0.295 HD ENDBRANCH 17 19 ENDBRANCH 14 17 ENDBRANCH 13 14 ENDBRANCH 5 13 ENDBRANCH 1 7 BRANCH 2 21 ATOM 21 C LIG 1 -0.169 -1.098 -0.153 0.00 0.00 +0.139 C BRANCH 21 22 ATOM 22 C LIG 1 1.319 -1.277 -0.019 0.00 0.00 -0.030 A ATOM 23 C LIG 1 1.842 -2.461 0.511 0.00 0.00 +0.009 A ATOM 24 C LIG 1 3.222 -2.621 0.655 0.00 0.00 +0.046 A ATOM 25 C LIG 1 4.103 -1.603 0.280 0.00 0.00 +0.121 A ATOM 26 C LIG 1 3.586 -0.415 -0.233 0.00 0.00 +0.046 A ATOM 27 C LIG 1 2.202 -0.252 -0.379 0.00 0.00 +0.009 A BRANCH 25 28 ATOM 28 O LIG 1 5.422 -1.897 0.480 0.00 0.00 -0.492 OA BRANCH 28 29 ATOM 29 C LIG 1 6.409 -0.951 0.066 0.00 0.00 +0.233 C BRANCH 29 30 ATOM 30 C LIG 1 6.696 0.057 1.179 0.00 0.00 +0.076 C BRANCH 30 31 ATOM 31 C LIG 1 7.748 1.057 0.775 0.00 0.00 -0.044 A ATOM 32 C LIG 1 7.380 2.300 0.242 0.00 0.00 +0.004 A ATOM 33 C LIG 1 8.356 3.216 -0.152 0.00 0.00 +0.000 A ATOM 34 C LIG 1 9.707 2.898 -0.020 0.00 0.00 +0.000 A ATOM 35 C LIG 1 10.083 1.664 0.506 0.00 0.00 +0.000 A ATOM 36 C LIG 1 9.108 0.747 0.902 0.00 0.00 +0.004 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 2 21 TORSDOF 13