REMARK Name = BDB036443 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.700 1.778 0.893 0.00 0.00 -0.019 A ATOM 2 C LIG 1 1.445 1.613 2.262 0.00 0.00 +0.055 A ATOM 3 C LIG 1 0.209 1.066 2.608 0.00 0.00 +0.173 A ATOM 4 C LIG 1 -0.760 0.649 1.710 0.00 0.00 +0.106 A ATOM 5 C LIG 1 -1.799 0.174 2.556 0.00 0.00 +0.192 A ATOM 6 N LIG 1 -1.509 0.355 3.850 0.00 0.00 -0.061 NA ATOM 7 C LIG 1 -0.492 0.805 0.336 0.00 0.00 +0.135 A ATOM 8 O LIG 1 -0.231 0.878 3.878 0.00 0.00 -0.353 OA ATOM 9 C LIG 1 0.732 1.389 -0.049 0.00 0.00 +0.052 A ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 -3.054 -0.347 2.242 0.00 0.00 -0.196 N ATOM 11 H LIG 1 -3.584 -0.521 3.098 0.00 0.00 +0.175 HD BRANCH 10 12 ATOM 12 S LIG 1 -3.193 -1.738 1.288 0.00 0.00 +0.073 S ATOM 13 O LIG 1 -4.022 -2.612 2.101 0.00 0.00 -0.150 OA ATOM 14 O LIG 1 -1.864 -2.167 0.905 0.00 0.00 -0.150 OA BRANCH 12 15 ATOM 15 C LIG 1 -4.129 -1.285 -0.102 0.00 0.00 +0.128 C ATOM 16 C LIG 1 -4.810 0.056 -0.115 0.00 0.00 +0.068 C ATOM 17 C LIG 1 -5.949 0.199 -1.159 0.00 0.00 +0.017 C ATOM 18 C LIG 1 -5.767 -0.709 -2.354 0.00 0.00 -0.019 C ATOM 19 C LIG 1 -4.977 -1.790 -2.315 0.00 0.00 +0.043 C ATOM 20 C LIG 1 -4.261 -2.161 -1.113 0.00 0.00 +0.142 C BRANCH 17 21 ATOM 21 C LIG 1 -6.119 1.663 -1.613 0.00 0.00 +0.004 C ATOM 22 C LIG 1 -6.467 2.610 -0.472 0.00 0.00 +0.004 C ENDBRANCH 17 21 BRANCH 20 23 ATOM 23 O LIG 1 -3.634 -3.383 -1.161 0.00 0.00 -0.493 OA ATOM 24 C LIG 1 -4.542 -4.452 -0.895 0.00 0.00 +0.277 C ENDBRANCH 20 23 ENDBRANCH 12 15 ENDBRANCH 10 12 ENDBRANCH 5 10 BRANCH 7 25 ATOM 25 O LIG 1 -1.441 0.462 -0.596 0.00 0.00 -0.494 OA ATOM 26 C LIG 1 -0.909 -0.346 -1.651 0.00 0.00 +0.277 C ENDBRANCH 7 25 BRANCH 1 27 ATOM 27 C LIG 1 3.008 2.378 0.429 0.00 0.00 +0.178 C BRANCH 27 30 ATOM 28 C LIG 1 5.301 -0.225 -0.612 0.00 0.00 +0.007 A ATOM 29 C LIG 1 4.713 0.520 0.391 0.00 0.00 +0.113 A ATOM 30 N LIG 1 3.851 1.385 -0.221 0.00 0.00 -0.267 N ATOM 31 N LIG 1 3.853 1.271 -1.567 0.00 0.00 -0.179 NA ATOM 32 C LIG 1 4.723 0.284 -1.797 0.00 0.00 +0.139 A BRANCH 28 33 ATOM 33 C LIG 1 6.302 -1.311 -0.478 0.00 0.00 +0.143 C BRANCH 33 35 ATOM 34 C LIG 1 8.166 -0.559 0.947 0.00 0.00 +0.272 C ATOM 35 N LIG 1 7.601 -0.712 -0.295 0.00 0.00 -0.305 N ATOM 36 H LIG 1 8.023 -0.227 -1.076 0.00 0.00 +0.149 HD ATOM 37 O LIG 1 7.690 -0.995 1.988 0.00 0.00 -0.268 OA BRANCH 34 39 ATOM 38 C LIG 1 10.169 0.480 1.999 0.00 0.00 +0.055 C ATOM 39 C LIG 1 9.440 0.214 0.913 0.00 0.00 +0.178 C ATOM 40 F LIG 1 9.837 0.651 -0.302 0.00 0.00 -0.201 F ENDBRANCH 34 39 ENDBRANCH 33 35 ENDBRANCH 28 33 ENDBRANCH 27 30 ENDBRANCH 1 27 TORSDOF 11