REMARK Name = BDB007125 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.294 -3.754 2.667 0.00 0.00 +0.046 C ATOM 2 C LIG 1 2.112 -2.405 2.062 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.950 -1.930 1.378 0.00 0.00 +0.004 A ATOM 4 C LIG 1 1.204 -0.621 0.965 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.255 0.127 0.245 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -0.979 -0.465 -0.045 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -1.265 -1.765 0.374 0.00 0.00 +0.037 A ATOM 8 N LIG 1 2.487 -0.306 1.383 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -0.301 -2.508 1.071 0.00 0.00 +0.023 A ATOM 10 C LIG 1 3.043 -1.377 2.058 0.00 0.00 +0.020 A ATOM 11 C LIG 1 4.420 -1.351 2.630 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -2.572 -2.415 0.080 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -3.661 -1.575 -0.001 0.00 0.00 -0.305 N ATOM 14 H LIG 1 -3.570 -0.611 0.285 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -2.644 -3.631 -0.049 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -5.005 -2.081 -0.225 0.00 0.00 +0.100 C ATOM 17 C LIG 1 -5.587 -2.704 1.047 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 -5.866 -0.964 -0.790 0.00 0.00 -0.027 A ATOM 19 C LIG 1 -6.385 0.062 0.020 0.00 0.00 +0.009 A ATOM 20 C LIG 1 -7.157 1.104 -0.521 0.00 0.00 -0.044 A ATOM 21 C LIG 1 -7.399 1.113 -1.901 0.00 0.00 +0.004 A ATOM 22 C LIG 1 -6.880 0.111 -2.720 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -6.115 -0.917 -2.169 0.00 0.00 +0.005 A BRANCH 20 24 ATOM 24 C LIG 1 -7.707 2.188 0.391 0.00 0.00 +0.013 C ATOM 25 C LIG 1 -9.237 2.206 0.384 0.00 0.00 +0.012 C ATOM 26 C LIG 1 -7.143 3.564 0.031 0.00 0.00 +0.012 C ENDBRANCH 20 24 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 27 ATOM 27 C LIG 1 3.131 0.994 1.184 0.00 0.00 +0.157 C BRANCH 27 28 ATOM 28 C LIG 1 4.185 0.978 0.102 0.00 0.00 -0.028 A ATOM 29 C LIG 1 5.447 1.538 0.347 0.00 0.00 +0.009 A ATOM 30 C LIG 1 6.431 1.565 -0.650 0.00 0.00 +0.046 A ATOM 31 C LIG 1 6.170 1.038 -1.911 0.00 0.00 +0.122 A ATOM 32 C LIG 1 4.907 0.500 -2.167 0.00 0.00 +0.046 A ATOM 33 C LIG 1 3.922 0.469 -1.175 0.00 0.00 +0.009 A BRANCH 31 34 ATOM 34 O LIG 1 7.019 0.998 -2.976 0.00 0.00 -0.478 OA BRANCH 34 35 ATOM 35 C LIG 1 8.416 1.240 -2.833 0.00 0.00 +0.278 C ATOM 36 C LIG 1 9.096 0.169 -1.978 0.00 0.00 +0.064 C BRANCH 35 37 ATOM 37 C LIG 1 8.849 2.671 -2.490 0.00 0.00 +0.346 C ATOM 38 O LIG 1 8.147 3.668 -2.439 0.00 0.00 -0.247 OA BRANCH 37 39 ATOM 39 O LIG 1 10.178 2.789 -2.279 0.00 0.00 -0.478 OA ATOM 40 H LIG 1 10.306 3.749 -2.122 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 8 27 TORSDOF 10