REMARK Name = BDB060211 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.998 0.024 -0.373 0.00 0.00 -0.300 N ATOM 2 C LIG 1 1.689 0.045 0.171 0.00 0.00 +0.039 A ATOM 3 C LIG 1 1.266 1.122 0.974 0.00 0.00 +0.024 A ATOM 4 C LIG 1 -0.008 1.164 1.540 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -0.896 0.121 1.316 0.00 0.00 +0.025 A ATOM 6 C LIG 1 -0.514 -0.963 0.520 0.00 0.00 +0.057 A ATOM 7 C LIG 1 0.778 -1.017 -0.048 0.00 0.00 -0.003 A ATOM 8 C LIG 1 1.215 -2.244 -0.814 0.00 0.00 +0.040 C ATOM 9 C LIG 1 2.440 -1.977 -1.671 0.00 0.00 +0.024 C ATOM 10 C LIG 1 3.498 -1.279 -0.834 0.00 0.00 +0.111 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 6.150 2.038 -0.174 0.00 0.00 +0.122 A ATOM 12 C LIG 1 5.244 0.976 -0.061 0.00 0.00 +0.069 A ATOM 13 C LIG 1 3.910 1.097 -0.480 0.00 0.00 +0.037 A ATOM 14 C LIG 1 3.506 2.324 -1.025 0.00 0.00 +0.023 A ATOM 15 C LIG 1 4.401 3.389 -1.144 0.00 0.00 +0.005 A ATOM 16 C LIG 1 5.722 3.247 -0.719 0.00 0.00 +0.046 A BRANCH 11 18 ATOM 17 C LIG 1 8.369 2.809 0.192 0.00 0.00 +0.277 C ATOM 18 O LIG 1 7.411 1.763 0.283 0.00 0.00 -0.495 OA ENDBRANCH 11 18 ENDBRANCH 1 13 BRANCH 6 19 ATOM 19 N LIG 1 -1.438 -2.043 0.308 0.00 0.00 -0.192 N BRANCH 19 20 ATOM 20 S LIG 1 -2.541 -1.929 -0.996 0.00 0.00 +0.076 S ATOM 21 O LIG 1 -3.309 -3.157 -1.039 0.00 0.00 -0.150 OA ATOM 22 O LIG 1 -1.819 -1.532 -2.187 0.00 0.00 -0.150 OA BRANCH 20 23 ATOM 23 C LIG 1 -3.667 -0.577 -0.538 0.00 0.00 +0.115 A ATOM 24 C LIG 1 -3.382 0.757 -0.945 0.00 0.00 -0.023 A ATOM 25 C LIG 1 -2.237 1.164 -1.840 0.00 0.00 +0.046 C ATOM 26 C LIG 1 -4.252 1.794 -0.552 0.00 0.00 +0.008 A ATOM 27 C LIG 1 -5.402 1.545 0.193 0.00 0.00 -0.050 A ATOM 28 C LIG 1 -6.293 2.672 0.624 0.00 0.00 +0.044 C ATOM 29 C LIG 1 -5.697 0.231 0.549 0.00 0.00 +0.008 A ATOM 30 C LIG 1 -4.864 -0.846 0.180 0.00 0.00 -0.023 A ATOM 31 C LIG 1 -5.379 -2.220 0.524 0.00 0.00 +0.046 C ENDBRANCH 20 23 ENDBRANCH 19 20 BRANCH 19 32 ATOM 32 C LIG 1 -1.846 -2.790 1.517 0.00 0.00 +0.251 C BRANCH 32 33 ATOM 33 C LIG 1 -2.106 -4.257 1.277 0.00 0.00 +0.324 C ATOM 34 O LIG 1 -2.967 -4.924 1.834 0.00 0.00 -0.249 OA BRANCH 33 35 ATOM 35 O LIG 1 -1.237 -4.839 0.424 0.00 0.00 -0.479 OA ATOM 36 H LIG 1 -1.586 -5.747 0.305 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 19 32 ENDBRANCH 6 19 TORSDOF 8