REMARK Name = BDB049056 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.963 0.949 -0.745 0.00 0.00 -0.041 A ATOM 2 C LIG 1 0.118 1.605 -1.344 0.00 0.00 +0.006 A ATOM 3 C LIG 1 1.438 1.214 -1.077 0.00 0.00 +0.023 A ATOM 4 C LIG 1 1.728 0.152 -0.211 0.00 0.00 +0.030 A ATOM 5 C LIG 1 0.634 -0.506 0.374 0.00 0.00 +0.023 A ATOM 6 C LIG 1 -0.687 -0.121 0.111 0.00 0.00 +0.006 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 3.030 -0.274 0.090 0.00 0.00 -0.327 N ATOM 8 C LIG 1 3.277 -1.690 -0.296 0.00 0.00 +0.122 C ATOM 9 C LIG 1 4.780 -2.024 -0.325 0.00 0.00 +0.128 C ATOM 10 N LIG 1 5.511 -1.145 -1.286 0.00 0.00 -0.174 NA ATOM 11 C LIG 1 4.979 0.247 -1.381 0.00 0.00 +0.128 C ATOM 12 C LIG 1 4.171 0.639 -0.133 0.00 0.00 +0.122 C BRANCH 10 13 ATOM 13 S LIG 1 7.177 -1.381 -1.444 0.00 0.00 +0.061 S ATOM 14 O LIG 1 7.425 -2.807 -1.462 0.00 0.00 -0.153 OA ATOM 15 O LIG 1 7.653 -0.526 -2.511 0.00 0.00 -0.153 OA BRANCH 13 16 ATOM 16 C LIG 1 7.831 -0.743 0.083 0.00 0.00 +0.108 A ATOM 17 C LIG 1 8.187 0.605 0.170 0.00 0.00 +0.066 A ATOM 18 C LIG 1 8.722 1.083 1.359 0.00 0.00 +0.125 A ATOM 19 F LIG 1 9.050 2.378 1.458 0.00 0.00 -0.205 F ATOM 20 C LIG 1 8.927 0.240 2.449 0.00 0.00 +0.038 A ATOM 21 C LIG 1 8.594 -1.111 2.351 0.00 0.00 +0.005 A ATOM 22 C LIG 1 8.052 -1.609 1.163 0.00 0.00 +0.029 A ENDBRANCH 13 16 ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 26 ATOM 23 N LIG 1 -4.230 -0.128 -0.822 0.00 0.00 -0.296 NA ATOM 24 C LIG 1 -4.603 1.120 -0.147 0.00 0.00 +0.104 C ATOM 25 C LIG 1 -3.239 1.761 0.197 0.00 0.00 +0.079 C ATOM 26 C LIG 1 -2.385 1.387 -1.053 0.00 0.00 +0.051 C ATOM 27 C LIG 1 -3.184 0.275 -1.769 0.00 0.00 +0.094 C BRANCH 25 28 ATOM 28 N LIG 1 -3.319 3.217 0.491 0.00 0.00 -0.304 NA ATOM 29 C LIG 1 -4.229 3.484 1.610 0.00 0.00 +0.104 C ATOM 30 C LIG 1 -1.998 3.768 0.808 0.00 0.00 +0.104 C ENDBRANCH 25 28 BRANCH 23 31 ATOM 31 C LIG 1 -5.361 -0.773 -1.499 0.00 0.00 +0.122 C BRANCH 31 34 ATOM 32 C LIG 1 -4.797 -3.122 0.326 0.00 0.00 +0.044 C ATOM 33 C LIG 1 -6.133 -2.427 0.310 0.00 0.00 -0.043 A ATOM 34 C LIG 1 -6.391 -1.326 -0.538 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -7.654 -0.718 -0.479 0.00 0.00 +0.128 A ATOM 36 F LIG 1 -7.931 0.330 -1.270 0.00 0.00 -0.205 F ATOM 37 C LIG 1 -8.643 -1.163 0.391 0.00 0.00 +0.039 A ATOM 38 C LIG 1 -8.383 -2.239 1.233 0.00 0.00 +0.003 A ATOM 39 C LIG 1 -7.135 -2.864 1.195 0.00 0.00 +0.004 A ENDBRANCH 31 34 ENDBRANCH 23 31 ENDBRANCH 1 26 TORSDOF 7