REMARK Name = BDB063573 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.354 0.157 -2.518 0.00 0.00 -0.028 A ATOM 2 C LIG 1 -2.215 -0.153 -1.456 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -1.808 -0.922 -0.348 0.00 0.00 +0.034 A ATOM 4 C LIG 1 -0.484 -1.413 -0.322 0.00 0.00 -0.017 A ATOM 5 C LIG 1 -0.021 -2.342 0.773 0.00 0.00 +0.046 C ATOM 6 C LIG 1 0.397 -1.048 -1.365 0.00 0.00 +0.042 A ATOM 7 C LIG 1 -0.035 -0.287 -2.458 0.00 0.00 +0.018 A ENDROOT BRANCH 6 8 ATOM 8 C LIG 1 1.826 -1.441 -1.371 0.00 0.00 +0.245 C ATOM 9 N LIG 1 2.563 -0.944 -0.322 0.00 0.00 -0.307 N ATOM 10 H LIG 1 2.066 -0.523 0.456 0.00 0.00 +0.149 HD ATOM 11 O LIG 1 2.274 -2.123 -2.283 0.00 0.00 -0.270 OA BRANCH 9 12 ATOM 12 C LIG 1 3.917 -1.387 -0.078 0.00 0.00 +0.146 C BRANCH 12 13 ATOM 13 C LIG 1 4.689 -0.302 0.617 0.00 0.00 +0.047 A ATOM 14 C LIG 1 4.278 -0.044 2.035 0.00 0.00 +0.255 A ATOM 15 O LIG 1 3.338 -0.637 2.557 0.00 0.00 -0.268 OA ATOM 16 N LIG 1 4.989 0.903 2.728 0.00 0.00 -0.326 N ATOM 17 H LIG 1 4.686 1.063 3.682 0.00 0.00 +0.169 HD ATOM 18 C LIG 1 6.014 1.646 2.200 0.00 0.00 +0.017 A ATOM 19 C LIG 1 6.655 2.664 3.092 0.00 0.00 +0.063 C ATOM 20 C LIG 1 6.380 1.431 0.929 0.00 0.00 +0.036 A ATOM 21 C LIG 1 5.718 0.420 0.120 0.00 0.00 +0.019 A BRANCH 21 22 ATOM 22 S LIG 1 6.310 0.239 -1.509 0.00 0.00 -0.128 S ATOM 23 C LIG 1 7.519 -1.081 -1.250 0.00 0.00 +0.090 C ENDBRANCH 21 22 ENDBRANCH 12 13 ENDBRANCH 9 12 ENDBRANCH 6 8 BRANCH 1 24 ATOM 24 C LIG 1 -1.837 1.008 -3.663 0.00 0.00 +0.140 C BRANCH 24 26 ATOM 25 C LIG 1 -2.755 3.122 -2.814 0.00 0.00 +0.237 C ATOM 26 N LIG 1 -1.712 2.413 -3.345 0.00 0.00 -0.308 N ATOM 27 H LIG 1 -0.777 2.783 -3.259 0.00 0.00 +0.149 HD ATOM 28 O LIG 1 -3.887 2.683 -2.642 0.00 0.00 -0.271 OA BRANCH 25 30 ATOM 29 C LIG 1 -1.456 5.271 -2.878 0.00 0.00 +0.013 C ATOM 30 C LIG 1 -2.424 4.500 -2.366 0.00 0.00 +0.059 C ENDBRANCH 25 30 ENDBRANCH 24 26 ENDBRANCH 1 24 BRANCH 3 31 ATOM 31 N LIG 1 -2.705 -1.171 0.696 0.00 0.00 -0.327 N BRANCH 31 32 ATOM 32 C LIG 1 -4.043 -1.700 0.354 0.00 0.00 +0.078 C ATOM 33 C LIG 1 -5.172 -0.694 0.561 0.00 0.00 +0.050 C ATOM 34 C LIG 1 -6.503 -1.304 0.129 0.00 0.00 +0.161 C ATOM 35 O LIG 1 -6.546 -2.728 0.255 0.00 0.00 -0.380 OA ATOM 36 C LIG 1 -5.806 -3.207 1.373 0.00 0.00 +0.161 C ATOM 37 C LIG 1 -4.314 -2.986 1.152 0.00 0.00 +0.050 C ENDBRANCH 31 32 BRANCH 31 38 ATOM 38 C LIG 1 -2.469 -0.488 1.976 0.00 0.00 +0.102 C ATOM 39 C LIG 1 -2.494 1.031 1.861 0.00 0.00 +0.024 C ENDBRANCH 31 38 ENDBRANCH 3 31 TORSDOF 10