REMARK Name = BDB022700 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.195 -1.424 -1.317 0.00 0.00 +0.139 C ENDROOT BRANCH 1 4 ATOM 2 C LIG 1 3.076 0.553 -1.121 0.00 0.00 +0.034 A ATOM 3 C LIG 1 1.921 -0.154 -0.760 0.00 0.00 +0.028 A ATOM 4 C LIG 1 1.057 -0.687 -1.733 0.00 0.00 -0.029 A ATOM 5 C LIG 1 1.358 -0.493 -3.085 0.00 0.00 +0.005 A ATOM 6 C LIG 1 2.506 0.206 -3.452 0.00 0.00 +0.002 A ATOM 7 C LIG 1 3.362 0.724 -2.476 0.00 0.00 +0.023 A BRANCH 2 9 ATOM 8 C LIG 1 5.054 1.777 -0.178 0.00 0.00 +0.222 C ATOM 9 N LIG 1 3.880 1.048 -0.072 0.00 0.00 -0.285 N ATOM 10 H LIG 1 3.546 0.845 0.862 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 5.583 2.147 -1.221 0.00 0.00 -0.275 OA BRANCH 8 15 ATOM 12 C LIG 1 8.341 -0.245 1.991 0.00 0.00 +0.239 C ATOM 13 N LIG 1 7.579 0.815 1.565 0.00 0.00 -0.297 N ATOM 14 C LIG 1 6.170 0.890 1.905 0.00 0.00 +0.120 C ATOM 15 C LIG 1 5.645 2.129 1.187 0.00 0.00 +0.094 C ATOM 16 C LIG 1 6.892 3.012 1.086 0.00 0.00 +0.033 C ATOM 17 C LIG 1 8.020 2.012 0.864 0.00 0.00 +0.109 C ATOM 18 O LIG 1 7.910 -1.129 2.726 0.00 0.00 -0.271 OA BRANCH 12 20 ATOM 19 C LIG 1 10.141 -0.303 0.296 0.00 0.00 +0.013 C ATOM 20 C LIG 1 9.765 -0.284 1.581 0.00 0.00 +0.060 C ENDBRANCH 12 20 ENDBRANCH 8 15 ENDBRANCH 2 9 ENDBRANCH 1 4 BRANCH 1 21 ATOM 21 N LIG 1 -1.185 -0.462 -0.886 0.00 0.00 -0.309 N ATOM 22 H LIG 1 -1.047 0.480 -1.235 0.00 0.00 +0.149 HD BRANCH 21 23 ATOM 23 C LIG 1 -2.498 -0.737 -0.566 0.00 0.00 +0.223 A ATOM 24 N LIG 1 -2.977 -2.032 -0.284 0.00 0.00 -0.183 N ATOM 25 C LIG 1 -4.296 -2.236 0.031 0.00 0.00 +0.168 A ATOM 26 C LIG 1 -4.433 -3.594 0.245 0.00 0.00 +0.019 A ATOM 27 C LIG 1 -3.129 -4.107 0.024 0.00 0.00 +0.141 A ATOM 28 N LIG 1 -5.155 -1.186 0.077 0.00 0.00 -0.175 NA ATOM 29 C LIG 1 -4.656 -0.019 -0.191 0.00 0.00 +0.323 A ATOM 30 N LIG 1 -2.240 -3.166 -0.302 0.00 0.00 -0.170 NA ATOM 31 N LIG 1 -3.346 0.257 -0.519 0.00 0.00 -0.161 NA BRANCH 26 32 ATOM 32 C LIG 1 -5.659 -4.370 0.622 0.00 0.00 +0.018 C ATOM 33 C LIG 1 -6.206 -3.948 1.987 0.00 0.00 +0.012 C ATOM 34 C LIG 1 -6.747 -4.278 -0.448 0.00 0.00 +0.012 C ENDBRANCH 26 32 BRANCH 29 35 ATOM 35 O LIG 1 -5.484 1.054 -0.151 0.00 0.00 -0.462 OA BRANCH 35 36 ATOM 36 C LIG 1 -4.949 2.356 -0.439 0.00 0.00 +0.235 C BRANCH 36 37 ATOM 37 C LIG 1 -6.056 3.414 -0.326 0.00 0.00 +0.020 C ATOM 38 C LIG 1 -6.628 3.471 1.091 0.00 0.00 +0.010 C ATOM 39 C LIG 1 -7.178 3.155 -1.333 0.00 0.00 +0.010 C ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 29 35 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 10