REMARK Name = BDB048702 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.152 -1.054 0.236 0.00 0.00 -0.281 N ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.534 -2.174 0.537 0.00 0.00 +0.291 A ATOM 3 O LIG 1 -0.111 -2.917 1.615 0.00 0.00 -0.424 OA ATOM 4 C LIG 1 -0.920 -4.016 1.605 0.00 0.00 +0.157 A ATOM 5 C LIG 1 -1.807 -3.875 0.551 0.00 0.00 +0.111 A ATOM 6 C LIG 1 -2.745 -4.890 0.315 0.00 0.00 +0.031 A ATOM 7 C LIG 1 -2.738 -6.010 1.163 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.826 -6.108 2.223 0.00 0.00 +0.004 A ATOM 9 C LIG 1 -0.889 -5.098 2.476 0.00 0.00 +0.048 A ATOM 10 N LIG 1 -1.564 -2.693 -0.103 0.00 0.00 -0.195 NA ENDBRANCH 1 2 BRANCH 1 11 ATOM 11 C LIG 1 1.187 -0.534 1.125 0.00 0.00 +0.144 C BRANCH 11 14 ATOM 12 C LIG 1 4.192 1.168 -0.532 0.00 0.00 +0.122 A ATOM 13 C LIG 1 3.005 0.963 0.183 0.00 0.00 +0.050 A ATOM 14 C LIG 1 2.498 -0.329 0.398 0.00 0.00 -0.027 A ATOM 15 C LIG 1 3.211 -1.424 -0.099 0.00 0.00 +0.005 A ATOM 16 C LIG 1 4.396 -1.228 -0.804 0.00 0.00 +0.004 A ATOM 17 C LIG 1 4.884 0.064 -1.023 0.00 0.00 +0.046 A BRANCH 12 18 ATOM 18 O LIG 1 4.530 2.484 -0.667 0.00 0.00 -0.478 OA BRANCH 18 19 ATOM 19 C LIG 1 5.666 2.898 -1.429 0.00 0.00 +0.281 C BRANCH 19 21 ATOM 20 C LIG 1 7.011 3.286 0.694 0.00 0.00 +0.008 C ATOM 21 C LIG 1 6.991 2.646 -0.687 0.00 0.00 +0.053 C ENDBRANCH 19 21 BRANCH 19 22 ATOM 22 C LIG 1 5.691 2.505 -2.916 0.00 0.00 +0.346 C ATOM 23 O LIG 1 4.776 2.034 -3.574 0.00 0.00 -0.247 OA BRANCH 22 24 ATOM 24 O LIG 1 6.858 2.786 -3.527 0.00 0.00 -0.478 OA ATOM 25 H LIG 1 6.696 2.540 -4.459 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 19 22 ENDBRANCH 18 19 ENDBRANCH 12 18 ENDBRANCH 11 14 ENDBRANCH 1 11 BRANCH 1 26 ATOM 26 C LIG 1 -0.231 -0.293 -0.957 0.00 0.00 +0.113 C BRANCH 26 27 ATOM 27 C LIG 1 -1.055 0.948 -0.624 0.00 0.00 +0.060 C BRANCH 27 28 ATOM 28 C LIG 1 -2.474 0.629 -0.172 0.00 0.00 +0.230 C BRANCH 28 29 ATOM 29 O LIG 1 -3.177 1.874 -0.088 0.00 0.00 -0.492 OA BRANCH 29 30 ATOM 30 C LIG 1 -4.537 1.796 0.037 0.00 0.00 +0.124 A ATOM 31 C LIG 1 -5.231 0.729 0.614 0.00 0.00 +0.095 A ATOM 32 C LIG 1 -6.608 0.834 0.691 0.00 0.00 +0.170 A ATOM 33 O LIG 1 -7.444 -0.095 1.237 0.00 0.00 -0.452 OA ATOM 34 C LIG 1 -8.724 0.552 1.057 0.00 0.00 +0.466 C ATOM 35 O LIG 1 -8.634 1.824 0.377 0.00 0.00 -0.453 OA ATOM 36 C LIG 1 -7.288 1.933 0.213 0.00 0.00 +0.166 A ATOM 37 C LIG 1 -6.629 2.998 -0.355 0.00 0.00 +0.053 A ATOM 38 C LIG 1 -5.235 2.929 -0.433 0.00 0.00 +0.049 A ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 13