REMARK Name = BDB053821 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.798 -0.293 0.171 0.00 0.00 +0.145 A ATOM 2 C LIG 1 -1.831 0.252 -0.624 0.00 0.00 +0.077 A ATOM 3 C LIG 1 -1.509 0.973 -1.776 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -0.174 1.144 -2.148 0.00 0.00 +0.048 A ATOM 5 C LIG 1 0.842 0.584 -1.377 0.00 0.00 +0.132 A ATOM 6 C LIG 1 0.537 -0.117 -0.206 0.00 0.00 +0.093 A ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 -3.155 0.038 -0.184 0.00 0.00 -0.266 N ATOM 8 H LIG 1 -3.224 -0.508 0.665 0.00 0.00 +0.156 HD ATOM 9 C LIG 1 -4.329 0.392 -0.798 0.00 0.00 +0.304 C ATOM 10 N LIG 1 -5.415 0.038 -0.039 0.00 0.00 -0.291 N ATOM 11 H LIG 1 -5.293 -0.218 0.932 0.00 0.00 +0.151 HD ATOM 12 O LIG 1 -4.451 0.941 -1.886 0.00 0.00 -0.252 OA BRANCH 10 13 ATOM 13 C LIG 1 -6.780 0.333 -0.456 0.00 0.00 +0.127 C ATOM 14 C LIG 1 -7.282 -0.732 -1.428 0.00 0.00 +0.035 C BRANCH 13 15 ATOM 15 C LIG 1 -7.638 0.377 0.790 0.00 0.00 +0.098 A ATOM 16 S LIG 1 -9.106 1.278 0.805 0.00 0.00 -0.079 S ATOM 17 C LIG 1 -9.359 0.818 2.436 0.00 0.00 +0.066 A ATOM 18 C LIG 1 -8.317 0.025 2.863 0.00 0.00 +0.119 A ATOM 19 N LIG 1 -7.332 -0.223 1.928 0.00 0.00 -0.250 NA ENDBRANCH 13 15 ENDBRANCH 10 13 ENDBRANCH 2 7 BRANCH 1 21 ATOM 20 C LIG 1 -0.205 -1.569 2.102 0.00 0.00 +0.277 C ATOM 21 O LIG 1 -1.214 -0.973 1.294 0.00 0.00 -0.493 OA ENDBRANCH 1 21 BRANCH 5 22 ATOM 22 O LIG 1 2.134 0.818 -1.795 0.00 0.00 -0.455 OA BRANCH 22 23 ATOM 23 C LIG 1 3.008 -0.249 -1.731 0.00 0.00 +0.139 A ATOM 24 C LIG 1 4.189 -0.121 -0.974 0.00 0.00 +0.046 A ATOM 25 C LIG 1 5.056 -1.229 -0.959 0.00 0.00 +0.078 A ATOM 26 C LIG 1 6.223 -1.151 -0.213 0.00 0.00 +0.077 A ATOM 27 C LIG 1 6.561 -0.007 0.520 0.00 0.00 +0.164 A ATOM 28 C LIG 1 5.701 1.103 0.505 0.00 0.00 +0.162 A ATOM 29 N LIG 1 4.796 -2.361 -1.637 0.00 0.00 -0.255 NA ATOM 30 C LIG 1 3.665 -2.428 -2.372 0.00 0.00 +0.115 A ATOM 31 C LIG 1 4.522 1.039 -0.241 0.00 0.00 +0.063 A ATOM 32 C LIG 1 2.746 -1.406 -2.458 0.00 0.00 +0.066 A BRANCH 28 33 ATOM 33 O LIG 1 6.094 2.187 1.248 0.00 0.00 -0.491 OA ATOM 34 C LIG 1 5.283 3.352 1.199 0.00 0.00 +0.277 C ENDBRANCH 28 33 BRANCH 27 35 ATOM 35 O LIG 1 7.700 0.122 1.277 0.00 0.00 -0.491 OA ATOM 36 C LIG 1 8.612 -0.967 1.287 0.00 0.00 +0.277 C ENDBRANCH 27 35 ENDBRANCH 22 23 ENDBRANCH 5 22 TORSDOF 8