REMARK Name = BDB024275 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.964 -1.348 0.840 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.851 -2.853 0.647 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.384 -3.415 -0.553 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.300 -4.800 -0.705 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.689 -5.642 0.334 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.167 -5.102 1.526 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.251 -3.717 1.681 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.820 -0.536 0.152 0.00 0.00 +0.240 C ATOM 9 N LIG 1 0.399 -0.736 0.777 0.00 0.00 -0.269 N ATOM 10 H LIG 1 0.463 -1.406 1.532 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -0.986 0.184 -0.830 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 1.637 -0.175 0.470 0.00 0.00 +0.125 A ATOM 13 N LIG 1 2.634 -0.633 1.255 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 3.881 -0.144 1.032 0.00 0.00 +0.121 A ATOM 15 C LIG 1 4.198 0.798 0.060 0.00 0.00 +0.003 A ATOM 16 C LIG 1 3.145 1.250 -0.734 0.00 0.00 +0.013 A ATOM 17 C LIG 1 1.851 0.763 -0.528 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 5.550 1.286 -0.137 0.00 0.00 +0.021 A ATOM 19 C LIG 1 6.531 1.337 0.833 0.00 0.00 +0.117 A ATOM 20 N LIG 1 7.645 1.856 0.231 0.00 0.00 -0.262 N ATOM 21 N LIG 1 7.444 2.189 -1.056 0.00 0.00 -0.179 NA ATOM 22 C LIG 1 6.177 1.831 -1.281 0.00 0.00 +0.143 A BRANCH 20 23 ATOM 23 C LIG 1 8.914 2.151 0.855 0.00 0.00 +0.256 C BRANCH 23 24 ATOM 24 C LIG 1 9.737 0.909 1.054 0.00 0.00 +0.409 C ATOM 25 F LIG 1 9.124 0.029 1.879 0.00 0.00 -0.169 F ATOM 26 F LIG 1 10.920 1.229 1.636 0.00 0.00 -0.169 F ATOM 27 F LIG 1 10.021 0.272 -0.100 0.00 0.00 -0.169 F ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 28 ATOM 28 N LIG 1 -3.316 -0.815 0.561 0.00 0.00 -0.301 NA ATOM 29 H LIG 1 -3.975 -1.235 1.214 0.00 0.00 +0.123 HD BRANCH 28 30 ATOM 30 C LIG 1 -3.806 -1.031 -0.805 0.00 0.00 +0.089 C BRANCH 30 32 ATOM 31 C LIG 1 -5.657 -0.609 -2.468 0.00 0.00 +0.014 C ATOM 32 C LIG 1 -5.161 -0.313 -1.047 0.00 0.00 +0.030 C BRANCH 32 33 ATOM 33 C LIG 1 -5.157 1.194 -0.818 0.00 0.00 -0.043 A ATOM 34 C LIG 1 -4.076 2.005 -1.193 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -4.110 3.386 -0.982 0.00 0.00 +0.019 A ATOM 36 C LIG 1 -5.233 3.980 -0.401 0.00 0.00 +0.052 A ATOM 37 C LIG 1 -6.322 3.186 -0.034 0.00 0.00 +0.019 A ATOM 38 C LIG 1 -6.284 1.804 -0.243 0.00 0.00 +0.005 A BRANCH 36 39 ATOM 39 C LIG 1 -5.268 5.396 -0.182 0.00 0.00 +0.099 C ATOM 40 N LIG 1 -5.301 6.542 -0.004 0.00 0.00 -0.191 NA ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 28 30 ENDBRANCH 1 28 TORSDOF 11