REMARK Name = BDB053635 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.082 1.380 0.884 0.00 0.00 +0.051 A ATOM 2 C LIG 1 -2.206 1.292 1.965 0.00 0.00 +0.026 A ATOM 3 C LIG 1 -0.840 1.068 1.751 0.00 0.00 +0.025 A ATOM 4 C LIG 1 -0.316 0.945 0.460 0.00 0.00 +0.034 A ATOM 5 C LIG 1 -1.212 1.054 -0.616 0.00 0.00 +0.025 A ATOM 6 C LIG 1 -2.578 1.275 -0.409 0.00 0.00 +0.026 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 1.034 0.716 0.182 0.00 0.00 -0.284 N ATOM 8 H LIG 1 1.301 0.687 -0.792 0.00 0.00 +0.155 HD BRANCH 7 9 ATOM 9 C LIG 1 2.176 0.538 0.962 0.00 0.00 +0.221 A ATOM 10 N LIG 1 3.306 0.371 0.250 0.00 0.00 -0.195 NA ATOM 11 C LIG 1 4.397 0.198 1.013 0.00 0.00 +0.164 A ATOM 12 C LIG 1 4.438 0.178 2.392 0.00 0.00 +0.057 A ATOM 13 C LIG 1 5.791 -0.034 2.712 0.00 0.00 +0.146 A ATOM 14 N LIG 1 6.565 -0.143 1.627 0.00 0.00 -0.177 NA ATOM 15 C LIG 1 3.231 0.356 3.044 0.00 0.00 +0.127 A ATOM 16 N LIG 1 5.691 0.005 0.598 0.00 0.00 -0.243 N ATOM 17 N LIG 1 2.107 0.535 2.311 0.00 0.00 -0.222 NA BRANCH 16 18 ATOM 18 C LIG 1 6.161 -0.057 -0.790 0.00 0.00 +0.109 C ATOM 19 C LIG 1 7.208 1.033 -1.078 0.00 0.00 +0.027 C ATOM 20 C LIG 1 8.671 0.616 -0.924 0.00 0.00 +0.002 C ATOM 21 C LIG 1 9.233 -0.057 -2.175 0.00 0.00 +0.000 C ATOM 22 C LIG 1 8.752 -1.484 -2.414 0.00 0.00 +0.000 C ATOM 23 C LIG 1 7.237 -1.652 -2.503 0.00 0.00 +0.002 C ATOM 24 C LIG 1 6.545 -1.499 -1.151 0.00 0.00 +0.027 C ENDBRANCH 16 18 ENDBRANCH 7 9 ENDBRANCH 4 7 BRANCH 1 25 ATOM 25 N LIG 1 -4.480 1.649 1.072 0.00 0.00 -0.208 N BRANCH 25 27 ATOM 26 C LIG 1 -4.357 4.091 2.254 0.00 0.00 +0.218 C ATOM 27 S LIG 1 -5.000 3.251 0.819 0.00 0.00 +0.043 S ATOM 28 O LIG 1 -4.339 3.796 -0.349 0.00 0.00 -0.155 OA ATOM 29 O LIG 1 -6.445 3.272 0.920 0.00 0.00 -0.155 OA ENDBRANCH 25 27 BRANCH 25 30 ATOM 30 C LIG 1 -5.239 0.815 2.037 0.00 0.00 +0.132 C BRANCH 30 31 ATOM 31 C LIG 1 -6.327 0.010 1.323 0.00 0.00 +0.036 C BRANCH 31 32 ATOM 32 C LIG 1 -5.743 -1.021 0.348 0.00 0.00 +0.086 C BRANCH 32 33 ATOM 33 N LIG 1 -6.780 -1.911 -0.197 0.00 0.00 -0.298 NA ATOM 34 C LIG 1 -6.165 -3.130 -0.770 0.00 0.00 +0.112 C ATOM 35 C LIG 1 -7.102 -3.825 -1.767 0.00 0.00 +0.175 C ATOM 36 O LIG 1 -7.376 -3.021 -2.921 0.00 0.00 -0.377 OA ATOM 37 C LIG 1 -7.298 -1.613 -2.654 0.00 0.00 +0.175 C ATOM 38 C LIG 1 -7.646 -1.250 -1.201 0.00 0.00 +0.112 C ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 25 30 ENDBRANCH 1 25 TORSDOF 9