REMARK Name = BDB034048 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.681 -0.366 1.073 0.00 0.00 +0.096 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -1.252 -1.786 -1.074 0.00 0.00 +0.213 C ATOM 3 N LIG 1 -2.003 -1.177 -0.120 0.00 0.00 -0.311 N ATOM 4 H LIG 1 -2.979 -1.162 -0.398 0.00 0.00 +0.149 HD ATOM 5 O LIG 1 -1.843 -2.224 -2.062 0.00 0.00 -0.276 OA BRANCH 2 7 ATOM 6 C LIG 1 0.917 -2.489 -2.140 0.00 0.00 +0.013 C ATOM 7 C LIG 1 0.240 -1.926 -0.899 0.00 0.00 +0.092 C ENDBRANCH 2 7 ENDBRANCH 1 3 BRANCH 1 8 ATOM 8 C LIG 1 -1.160 -1.144 2.296 0.00 0.00 +0.086 C BRANCH 8 9 ATOM 9 C LIG 1 0.310 -1.416 2.357 0.00 0.00 +0.081 A ATOM 10 S LIG 1 0.874 -2.888 3.049 0.00 0.00 -0.072 S ATOM 11 C LIG 1 2.501 -2.403 2.768 0.00 0.00 +0.039 A ATOM 12 C LIG 1 2.501 -1.138 2.185 0.00 0.00 +0.078 A ATOM 13 C LIG 1 3.735 -0.540 1.868 0.00 0.00 +0.029 A ATOM 14 C LIG 1 4.928 -1.220 2.137 0.00 0.00 +0.006 A ATOM 15 C LIG 1 4.922 -2.493 2.721 0.00 0.00 -0.044 A ATOM 16 C LIG 1 3.693 -3.095 3.046 0.00 0.00 +0.021 A ATOM 17 N LIG 1 1.249 -0.582 1.972 0.00 0.00 -0.244 NA BRANCH 15 18 ATOM 18 C LIG 1 6.241 -3.197 2.999 0.00 0.00 +0.013 C ATOM 19 C LIG 1 6.479 -3.356 4.503 0.00 0.00 +0.012 C ATOM 20 C LIG 1 6.326 -4.551 2.289 0.00 0.00 +0.012 C ENDBRANCH 15 18 ENDBRANCH 8 9 ENDBRANCH 1 8 BRANCH 1 21 ATOM 21 C LIG 1 -0.953 0.956 0.741 0.00 0.00 +0.126 C BRANCH 21 22 ATOM 22 N LIG 1 -1.670 1.733 -0.263 0.00 0.00 -0.312 N ATOM 23 H LIG 1 -1.465 1.531 -1.232 0.00 0.00 +0.149 HD ATOM 24 C LIG 1 -2.816 2.430 0.050 0.00 0.00 +0.233 C ATOM 25 O LIG 1 -3.239 2.497 1.206 0.00 0.00 -0.274 OA BRANCH 24 26 ATOM 26 C LIG 1 -3.561 3.115 -1.153 0.00 0.00 +0.094 C ATOM 27 C LIG 1 -2.623 4.153 -1.823 0.00 0.00 +0.031 C ATOM 28 C LIG 1 -1.992 3.712 -3.146 0.00 0.00 +0.002 C ATOM 29 C LIG 1 -2.942 3.679 -4.350 0.00 0.00 +0.000 C ATOM 30 C LIG 1 -4.438 3.670 -4.048 0.00 0.00 +0.000 C ATOM 31 C LIG 1 -4.941 2.456 -3.274 0.00 0.00 +0.002 C ATOM 32 C LIG 1 -4.091 2.005 -2.086 0.00 0.00 +0.031 C BRANCH 26 33 ATOM 33 N LIG 1 -4.720 3.853 -0.581 0.00 0.00 -0.317 NA ATOM 34 H LIG 1 -4.357 4.511 0.113 0.00 0.00 +0.119 HD ATOM 35 H LIG 1 -5.257 3.192 -0.013 0.00 0.00 +0.119 HD ENDBRANCH 26 33 ENDBRANCH 24 26 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 9