REMARK Name = BDB036344 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.927 0.903 1.416 0.00 0.00 -0.019 A ATOM 2 C LIG 1 -0.542 0.368 2.671 0.00 0.00 +0.024 A ATOM 3 C LIG 1 0.629 -0.384 2.822 0.00 0.00 -0.010 A ATOM 4 C LIG 1 0.810 -0.819 4.179 0.00 0.00 +0.016 A ATOM 5 C LIG 1 -0.200 -0.406 5.013 0.00 0.00 +0.046 A ATOM 6 C LIG 1 1.444 -0.609 1.685 0.00 0.00 +0.013 A ATOM 7 C LIG 1 1.104 -0.086 0.430 0.00 0.00 -0.039 A ATOM 8 S LIG 1 -1.374 0.502 4.184 0.00 0.00 -0.096 S ATOM 9 C LIG 1 -0.076 0.653 0.316 0.00 0.00 +0.010 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 -2.184 1.729 1.186 0.00 0.00 +0.121 C BRANCH 10 20 ATOM 11 C LIG 1 -4.480 -1.038 -0.137 0.00 0.00 +0.187 C ATOM 12 O LIG 1 -5.760 -0.457 -0.447 0.00 0.00 -0.486 OA ATOM 13 C LIG 1 -5.646 0.374 -1.524 0.00 0.00 +0.144 A ATOM 14 C LIG 1 -4.896 1.551 -1.486 0.00 0.00 +0.100 A ATOM 15 N LIG 1 -4.751 2.331 -2.594 0.00 0.00 -0.255 NA ATOM 16 C LIG 1 -5.391 1.952 -3.723 0.00 0.00 +0.111 A ATOM 17 C LIG 1 -6.188 0.824 -3.815 0.00 0.00 +0.023 A ATOM 18 C LIG 1 -4.253 2.004 -0.166 0.00 0.00 +0.106 C ATOM 19 C LIG 1 -3.887 3.501 -0.268 0.00 0.00 +0.031 C ATOM 20 N LIG 1 -3.132 1.097 0.244 0.00 0.00 -0.286 NA ATOM 21 C LIG 1 -6.319 0.022 -2.689 0.00 0.00 +0.049 A ATOM 22 C LIG 1 -3.682 -0.150 0.844 0.00 0.00 +0.130 C BRANCH 11 24 ATOM 23 C LIG 1 -5.575 -2.439 1.732 0.00 0.00 +0.007 C ATOM 24 C LIG 1 -4.752 -2.438 0.449 0.00 0.00 +0.042 C ENDBRANCH 11 24 ENDBRANCH 10 20 ENDBRANCH 1 10 BRANCH 7 25 ATOM 25 C LIG 1 1.957 -0.339 -0.818 0.00 0.00 +0.060 C BRANCH 25 26 ATOM 26 C LIG 1 3.462 -0.126 -0.558 0.00 0.00 -0.034 A ATOM 27 C LIG 1 4.006 1.191 -0.528 0.00 0.00 -0.017 A ATOM 28 C LIG 1 3.159 2.412 -0.765 0.00 0.00 +0.046 C ATOM 29 C LIG 1 5.389 1.325 -0.274 0.00 0.00 +0.116 A ATOM 30 N LIG 1 6.153 2.464 -0.191 0.00 0.00 -0.129 NA ATOM 31 N LIG 1 7.403 2.109 0.058 0.00 0.00 -0.065 NA ATOM 32 N LIG 1 7.434 0.767 0.122 0.00 0.00 -0.247 N ATOM 33 C LIG 1 8.690 0.108 0.359 0.00 0.00 +0.175 C ATOM 34 C LIG 1 6.192 0.210 -0.059 0.00 0.00 +0.092 A ATOM 35 C LIG 1 5.698 -1.103 -0.063 0.00 0.00 -0.023 A ATOM 36 C LIG 1 6.532 -2.329 0.160 0.00 0.00 +0.046 C ATOM 37 C LIG 1 4.316 -1.226 -0.320 0.00 0.00 +0.010 A ENDBRANCH 25 26 BRANCH 25 38 ATOM 38 C LIG 1 1.534 -1.700 -1.410 0.00 0.00 +0.133 C BRANCH 38 39 ATOM 39 C LIG 1 2.094 -1.933 -2.792 0.00 0.00 +0.306 C ATOM 40 O LIG 1 2.581 -1.081 -3.515 0.00 0.00 -0.251 OA BRANCH 39 41 ATOM 41 O LIG 1 1.962 -3.222 -3.189 0.00 0.00 -0.481 OA ATOM 42 H LIG 1 1.509 -3.796 -2.543 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 38 39 ENDBRANCH 25 38 ENDBRANCH 7 25 TORSDOF 8