REMARK Name = BDB007150 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.519 -4.336 -0.907 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -2.357 -2.949 -0.385 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.283 -2.057 -0.679 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -1.529 -0.860 -0.002 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.642 0.232 -0.091 0.00 0.00 +0.027 A ATOM 6 C LIG 1 0.510 0.095 -0.871 0.00 0.00 +0.015 A ATOM 7 C LIG 1 0.779 -1.101 -1.531 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -2.733 -1.012 0.681 0.00 0.00 -0.337 N ATOM 9 C LIG 1 -0.118 -2.172 -1.468 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -3.227 -2.290 0.473 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -4.495 -2.809 1.064 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 1.996 -1.247 -2.354 0.00 0.00 +0.245 C ATOM 13 N LIG 1 3.227 -1.002 -1.796 0.00 0.00 -0.305 N ATOM 14 H LIG 1 3.976 -1.159 -2.458 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 1.904 -1.589 -3.529 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 3.585 -1.085 -0.384 0.00 0.00 +0.100 C ATOM 17 C LIG 1 3.657 -2.544 0.079 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 4.879 -0.329 -0.147 0.00 0.00 -0.027 A ATOM 19 C LIG 1 6.123 -0.834 -0.541 0.00 0.00 +0.006 A ATOM 20 C LIG 1 7.296 -0.101 -0.324 0.00 0.00 +0.004 A ATOM 21 C LIG 1 7.273 1.167 0.287 0.00 0.00 -0.042 A ATOM 22 C LIG 1 6.019 1.670 0.664 0.00 0.00 +0.004 A ATOM 23 C LIG 1 4.844 0.939 0.448 0.00 0.00 +0.006 A BRANCH 21 24 ATOM 24 C LIG 1 8.582 1.944 0.507 0.00 0.00 -0.013 C ATOM 25 C LIG 1 9.535 1.115 1.396 0.00 0.00 +0.015 C ATOM 26 C LIG 1 9.261 2.212 -0.853 0.00 0.00 +0.015 C ATOM 27 C LIG 1 8.388 3.312 1.200 0.00 0.00 +0.015 C ENDBRANCH 21 24 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 28 ATOM 28 C LIG 1 -3.316 0.045 1.538 0.00 0.00 +0.114 C ATOM 29 C LIG 1 -2.956 -0.207 3.008 0.00 0.00 +0.036 C BRANCH 28 30 ATOM 30 C LIG 1 -4.780 0.331 1.224 0.00 0.00 -0.022 A ATOM 31 C LIG 1 -5.130 0.769 -0.069 0.00 0.00 +0.051 A ATOM 32 C LIG 1 -6.454 1.065 -0.414 0.00 0.00 +0.122 A ATOM 33 C LIG 1 -7.450 0.937 0.550 0.00 0.00 +0.046 A ATOM 34 C LIG 1 -7.125 0.512 1.839 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -5.803 0.215 2.175 0.00 0.00 +0.006 A BRANCH 32 36 ATOM 36 O LIG 1 -6.621 1.489 -1.701 0.00 0.00 -0.478 OA BRANCH 36 37 ATOM 37 C LIG 1 -7.939 1.568 -2.242 0.00 0.00 +0.278 C ATOM 38 C LIG 1 -8.493 2.972 -2.018 0.00 0.00 +0.064 C BRANCH 37 39 ATOM 39 C LIG 1 -7.880 1.300 -3.753 0.00 0.00 +0.346 C ATOM 40 O LIG 1 -6.862 1.231 -4.426 0.00 0.00 -0.247 OA BRANCH 39 41 ATOM 41 O LIG 1 -9.107 1.128 -4.315 0.00 0.00 -0.478 OA ATOM 42 H LIG 1 -9.855 1.169 -3.691 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 32 36 ENDBRANCH 28 30 ENDBRANCH 8 28 TORSDOF 10