REMARK Name = BDB010488 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.568 -1.954 0.380 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.351 -1.442 0.829 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.216 -1.942 1.994 0.00 0.00 +0.186 A ATOM 4 N LIG 1 1.395 -1.330 2.295 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.596 -0.478 1.318 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -0.323 -2.918 2.743 0.00 0.00 -0.199 NA ATOM 7 C LIG 1 -1.464 -3.364 2.217 0.00 0.00 +0.210 A ATOM 8 N LIG 1 0.562 -0.502 0.401 0.00 0.00 -0.307 N ATOM 9 N LIG 1 -2.101 -2.952 1.112 0.00 0.00 -0.204 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 2.669 0.355 1.165 0.00 0.00 -0.294 N ATOM 11 C LIG 1 3.967 -0.378 1.039 0.00 0.00 +0.106 C ATOM 12 C LIG 1 5.180 0.530 1.360 0.00 0.00 +0.027 C ATOM 13 C LIG 1 4.931 2.018 1.124 0.00 0.00 +0.004 C ATOM 14 C LIG 1 3.649 2.510 1.792 0.00 0.00 +0.019 C ATOM 15 C LIG 1 2.726 1.376 2.228 0.00 0.00 +0.108 C BRANCH 11 16 ATOM 16 C LIG 1 4.068 -1.040 -0.335 0.00 0.00 -0.027 A ATOM 17 C LIG 1 4.322 -0.315 -1.509 0.00 0.00 +0.005 A ATOM 18 C LIG 1 4.385 -0.958 -2.748 0.00 0.00 +0.000 A ATOM 19 C LIG 1 4.187 -2.333 -2.834 0.00 0.00 +0.000 A ATOM 20 C LIG 1 3.920 -3.068 -1.682 0.00 0.00 +0.000 A ATOM 21 C LIG 1 3.858 -2.427 -0.443 0.00 0.00 +0.005 A ENDBRANCH 11 16 ENDBRANCH 5 10 BRANCH 7 22 ATOM 22 S LIG 1 -2.268 -4.644 3.163 0.00 0.00 +0.022 S ATOM 23 O LIG 1 -3.591 -5.207 2.325 0.00 0.00 -0.154 OA ATOM 24 C LIG 1 -0.960 -5.880 3.007 0.00 0.00 +0.115 C ENDBRANCH 7 22 BRANCH 1 25 ATOM 25 N LIG 1 -2.229 -1.496 -0.752 0.00 0.00 -0.324 N ATOM 26 H LIG 1 -2.101 -0.508 -0.913 0.00 0.00 +0.148 HD BRANCH 25 28 ATOM 27 C LIG 1 -3.895 -1.764 -2.475 0.00 0.00 +0.028 C ATOM 28 C LIG 1 -3.604 -1.955 -0.985 0.00 0.00 +0.072 C BRANCH 28 29 ATOM 29 C LIG 1 -4.595 -1.204 -0.085 0.00 0.00 +0.009 C ATOM 30 C LIG 1 -6.128 -1.340 -0.315 0.00 0.00 +0.005 C ATOM 31 C LIG 1 -6.259 0.101 0.221 0.00 0.00 +0.001 C ATOM 32 C LIG 1 -4.803 0.331 -0.237 0.00 0.00 +0.005 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 1 25 BRANCH 8 33 ATOM 33 C LIG 1 0.540 0.259 -0.835 0.00 0.00 +0.128 C BRANCH 33 34 ATOM 34 C LIG 1 0.189 1.748 -0.664 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -1.251 1.985 -0.204 0.00 0.00 +0.005 C ATOM 36 C LIG 1 -1.511 3.467 0.088 0.00 0.00 +0.003 C ATOM 37 C LIG 1 -0.851 4.432 -0.914 0.00 0.00 -0.014 C ATOM 38 C LIG 1 0.332 5.173 -0.285 0.00 0.00 +0.007 C ATOM 39 C LIG 1 -0.441 3.716 -2.204 0.00 0.00 +0.003 C ATOM 40 C LIG 1 0.474 2.510 -1.973 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 8