REMARK Name = BDB021626 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.862 0.271 -0.837 0.00 0.00 +0.124 A ATOM 2 C LIG 1 2.193 -0.878 -0.423 0.00 0.00 +0.092 A ATOM 3 C LIG 1 0.839 -0.856 -0.013 0.00 0.00 +0.137 A ATOM 4 O LIG 1 0.438 -2.111 0.332 0.00 0.00 -0.487 OA ATOM 5 C LIG 1 -0.886 -2.387 0.766 0.00 0.00 +0.188 C ATOM 6 C LIG 1 -1.375 -1.413 1.834 0.00 0.00 +0.152 C ATOM 7 N LIG 1 -1.948 -0.202 1.283 0.00 0.00 -0.291 N ATOM 8 C LIG 1 -1.284 0.614 0.374 0.00 0.00 +0.250 C ATOM 9 O LIG 1 -1.825 1.617 -0.099 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -1.809 -2.620 -0.426 0.00 0.00 +0.053 C ATOM 11 C LIG 1 0.138 0.354 -0.015 0.00 0.00 +0.079 A ATOM 12 C LIG 1 0.831 1.511 -0.441 0.00 0.00 +0.020 A ATOM 13 C LIG 1 2.168 1.471 -0.842 0.00 0.00 +0.046 A ENDROOT BRANCH 1 14 ATOM 14 O LIG 1 4.159 0.363 -1.247 0.00 0.00 -0.489 OA BRANCH 14 18 ATOM 15 N LIG 1 7.917 -1.072 -0.791 0.00 0.00 -0.300 NA ATOM 16 C LIG 1 6.896 -1.853 -0.076 0.00 0.00 +0.088 C ATOM 17 C LIG 1 5.557 -1.137 0.051 0.00 0.00 +0.060 C ATOM 18 C LIG 1 4.965 -0.822 -1.329 0.00 0.00 +0.176 C ATOM 19 C LIG 1 6.065 -0.557 -2.367 0.00 0.00 +0.060 C ATOM 20 C LIG 1 7.345 -0.060 -1.698 0.00 0.00 +0.088 C BRANCH 15 21 ATOM 21 C LIG 1 8.896 -0.475 0.145 0.00 0.00 +0.112 C BRANCH 21 22 ATOM 22 C LIG 1 10.100 0.207 -0.531 0.00 0.00 +0.174 C BRANCH 22 24 ATOM 23 C LIG 1 10.841 2.174 -1.600 0.00 0.00 +0.194 C ATOM 24 O LIG 1 9.765 1.542 -0.921 0.00 0.00 -0.382 OA ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 15 21 ENDBRANCH 14 18 ENDBRANCH 1 14 BRANCH 7 25 ATOM 25 C LIG 1 -3.279 0.210 1.766 0.00 0.00 +0.140 C BRANCH 25 26 ATOM 26 C LIG 1 -4.438 -0.648 1.217 0.00 0.00 +0.146 C BRANCH 26 27 ATOM 27 O LIG 1 -4.485 -0.604 -0.213 0.00 0.00 -0.389 OA ATOM 28 H LIG 1 -5.406 -0.733 -0.499 0.00 0.00 +0.210 HD ENDBRANCH 26 27 BRANCH 26 29 ATOM 29 C LIG 1 -5.805 -0.274 1.853 0.00 0.00 +0.117 C BRANCH 29 30 ATOM 30 N LIG 1 -6.167 1.156 1.893 0.00 0.00 -0.295 NA ATOM 31 C LIG 1 -6.229 1.812 0.574 0.00 0.00 +0.120 C ATOM 32 C LIG 1 -7.420 1.400 -0.264 0.00 0.00 -0.030 A ATOM 33 C LIG 1 -8.613 0.975 0.350 0.00 0.00 -0.042 A ATOM 34 C LIG 1 -9.719 0.639 -0.441 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -9.647 0.740 -1.830 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -8.471 1.173 -2.439 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -8.681 0.814 1.850 0.00 0.00 +0.051 C ATOM 38 C LIG 1 -7.363 1.506 -1.660 0.00 0.00 +0.005 A ATOM 39 C LIG 1 -7.452 1.380 2.584 0.00 0.00 +0.089 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 25 26 ENDBRANCH 7 25 TORSDOF 10