REMARK Name = BDB003384 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.708 -3.016 -0.991 0.00 0.00 +0.152 A ATOM 2 C LIG 1 -1.802 -2.389 -0.376 0.00 0.00 -0.008 A ATOM 3 C LIG 1 -3.101 -3.126 -0.170 0.00 0.00 +0.047 C ATOM 4 C LIG 1 -1.646 -1.036 0.025 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -0.366 -0.428 -0.074 0.00 0.00 +0.061 A ATOM 6 C LIG 1 0.653 -1.134 -0.750 0.00 0.00 +0.111 A ATOM 7 N LIG 1 0.486 -2.402 -1.207 0.00 0.00 -0.236 NA ENDROOT BRANCH 6 8 ATOM 8 C LIG 1 1.984 -0.552 -1.048 0.00 0.00 +0.092 A ATOM 9 N LIG 1 2.522 0.277 -0.111 0.00 0.00 -0.241 NA ATOM 10 C LIG 1 3.739 0.835 -0.366 0.00 0.00 +0.124 A ATOM 11 C LIG 1 4.309 1.668 0.714 0.00 0.00 +0.229 C ATOM 12 C LIG 1 5.646 2.310 0.478 0.00 0.00 +0.120 C ATOM 13 C LIG 1 6.278 2.163 -0.702 0.00 0.00 +0.192 C ATOM 14 C LIG 1 5.714 1.308 -1.788 0.00 0.00 +0.231 C ATOM 15 O LIG 1 6.277 1.168 -2.867 0.00 0.00 -0.283 OA ATOM 16 O LIG 1 3.730 1.825 1.791 0.00 0.00 -0.284 OA ATOM 17 C LIG 1 4.435 0.636 -1.541 0.00 0.00 +0.055 A ATOM 18 C LIG 1 3.880 -0.211 -2.499 0.00 0.00 +0.016 A ATOM 19 C LIG 1 2.653 -0.824 -2.243 0.00 0.00 +0.031 A BRANCH 12 20 ATOM 20 N LIG 1 6.153 3.067 1.531 0.00 0.00 -0.352 N ATOM 21 H LIG 1 7.170 3.089 1.544 0.00 0.00 +0.143 HD ATOM 22 H LIG 1 5.731 2.804 2.427 0.00 0.00 +0.143 HD ENDBRANCH 12 20 BRANCH 13 23 ATOM 23 O LIG 1 7.527 2.751 -0.888 0.00 0.00 -0.490 OA ATOM 24 C LIG 1 7.466 3.796 -1.857 0.00 0.00 +0.277 C ENDBRANCH 13 23 ENDBRANCH 6 8 BRANCH 4 25 ATOM 25 C LIG 1 -2.813 -0.255 0.504 0.00 0.00 +0.030 A ATOM 26 C LIG 1 -2.987 0.126 1.842 0.00 0.00 +0.170 A ATOM 27 C LIG 1 -4.094 0.886 2.266 0.00 0.00 +0.204 A ATOM 28 C LIG 1 -5.100 1.220 1.344 0.00 0.00 +0.165 A ATOM 29 C LIG 1 -4.930 0.863 0.000 0.00 0.00 +0.050 A ATOM 30 C LIG 1 -3.800 0.146 -0.413 0.00 0.00 +0.016 A BRANCH 26 31 ATOM 31 O LIG 1 -2.036 -0.225 2.775 0.00 0.00 -0.503 OA ATOM 32 H LIG 1 -2.381 0.111 3.624 0.00 0.00 +0.292 HD ENDBRANCH 26 31 BRANCH 27 33 ATOM 33 O LIG 1 -4.084 1.180 3.610 0.00 0.00 -0.488 OA ATOM 34 C LIG 1 -4.595 2.467 3.962 0.00 0.00 +0.277 C ENDBRANCH 27 33 BRANCH 28 35 ATOM 35 O LIG 1 -6.200 1.901 1.801 0.00 0.00 -0.491 OA ATOM 36 C LIG 1 -7.408 1.724 1.061 0.00 0.00 +0.277 C ENDBRANCH 28 35 ENDBRANCH 4 25 BRANCH 5 37 ATOM 37 N LIG 1 -0.190 0.935 0.283 0.00 0.00 -0.356 N ATOM 38 H LIG 1 0.797 1.116 0.500 0.00 0.00 +0.142 HD ATOM 39 H LIG 1 -0.776 1.186 1.080 0.00 0.00 +0.142 HD ENDBRANCH 5 37 BRANCH 1 40 ATOM 40 C LIG 1 -0.789 -4.432 -1.505 0.00 0.00 +0.358 C ATOM 41 O LIG 1 -1.816 -4.997 -1.849 0.00 0.00 -0.243 OA BRANCH 40 43 ATOM 42 C LIG 1 0.484 -6.346 -1.950 0.00 0.00 +0.280 C ATOM 43 O LIG 1 0.454 -4.987 -1.519 0.00 0.00 -0.463 OA ENDBRANCH 40 43 ENDBRANCH 1 40 TORSDOF 10