REMARK Name = BDB048680 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.601 2.348 -0.839 0.00 0.00 -0.281 N ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.213 3.553 -0.802 0.00 0.00 +0.291 A ATOM 3 O LIG 1 -0.420 4.670 -0.723 0.00 0.00 -0.424 OA ATOM 4 C LIG 1 -1.300 5.707 -0.688 0.00 0.00 +0.157 A ATOM 5 C LIG 1 -2.576 5.178 -0.744 0.00 0.00 +0.111 A ATOM 6 C LIG 1 -3.674 6.048 -0.723 0.00 0.00 +0.031 A ATOM 7 C LIG 1 -3.422 7.427 -0.646 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -2.112 7.922 -0.590 0.00 0.00 +0.004 A ATOM 9 C LIG 1 -1.006 7.063 -0.610 0.00 0.00 +0.048 A ATOM 10 N LIG 1 -2.507 3.811 -0.813 0.00 0.00 -0.195 NA ENDBRANCH 1 2 BRANCH 1 11 ATOM 11 C LIG 1 0.832 2.236 -1.079 0.00 0.00 +0.144 C BRANCH 11 14 ATOM 12 C LIG 1 2.500 -0.733 0.668 0.00 0.00 +0.122 A ATOM 13 C LIG 1 1.934 0.081 -0.317 0.00 0.00 +0.050 A ATOM 14 C LIG 1 1.491 1.380 -0.020 0.00 0.00 -0.027 A ATOM 15 C LIG 1 1.639 1.860 1.287 0.00 0.00 +0.005 A ATOM 16 C LIG 1 2.221 1.060 2.269 0.00 0.00 +0.004 A ATOM 17 C LIG 1 2.651 -0.234 1.961 0.00 0.00 +0.046 A BRANCH 12 18 ATOM 18 O LIG 1 2.879 -1.970 0.230 0.00 0.00 -0.478 OA BRANCH 18 19 ATOM 19 C LIG 1 3.101 -2.999 1.196 0.00 0.00 +0.281 C BRANCH 19 21 ATOM 20 C LIG 1 5.503 -3.261 0.339 0.00 0.00 +0.008 C ATOM 21 C LIG 1 4.593 -3.091 1.551 0.00 0.00 +0.053 C ENDBRANCH 19 21 BRANCH 19 22 ATOM 22 C LIG 1 2.616 -4.327 0.611 0.00 0.00 +0.346 C ATOM 23 O LIG 1 2.225 -4.553 -0.523 0.00 0.00 -0.247 OA BRANCH 22 24 ATOM 24 O LIG 1 2.637 -5.330 1.519 0.00 0.00 -0.478 OA ATOM 25 H LIG 1 2.277 -6.095 1.022 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 -1.426 1.155 -1.032 0.00 0.00 +0.113 C BRANCH 26 27 ATOM 27 C LIG 1 -2.019 0.684 0.300 0.00 0.00 +0.060 C BRANCH 27 28 ATOM 28 C LIG 1 -2.722 -0.661 0.155 0.00 0.00 +0.230 C BRANCH 28 29 ATOM 29 O LIG 1 -1.746 -1.640 -0.201 0.00 0.00 -0.492 OA BRANCH 29 30 ATOM 30 C LIG 1 -2.185 -2.907 -0.457 0.00 0.00 +0.121 A ATOM 31 C LIG 1 -1.205 -3.773 -0.947 0.00 0.00 +0.045 A ATOM 32 C LIG 1 -1.516 -5.098 -1.255 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -2.814 -5.566 -1.069 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -3.796 -4.709 -0.573 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -3.483 -3.381 -0.266 0.00 0.00 +0.045 A ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 13