REMARK Name = BDB023425 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.432 0.131 0.169 0.00 0.00 +0.159 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.400 -1.069 0.062 0.00 0.00 +0.238 C ATOM 3 N LIG 1 -1.756 -2.250 -0.270 0.00 0.00 -0.284 N ATOM 4 H LIG 1 -0.747 -2.195 -0.434 0.00 0.00 +0.155 HD ATOM 5 O LIG 1 -3.603 -0.921 0.280 0.00 0.00 -0.273 OA BRANCH 3 6 ATOM 6 C LIG 1 -2.325 -3.530 -0.427 0.00 0.00 +0.033 A ATOM 7 C LIG 1 -3.680 -3.814 -0.242 0.00 0.00 +0.023 A ATOM 8 C LIG 1 -4.160 -5.116 -0.416 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -3.291 -6.144 -0.777 0.00 0.00 +0.000 A ATOM 10 C LIG 1 -1.939 -5.871 -0.964 0.00 0.00 +0.002 A ATOM 11 C LIG 1 -1.459 -4.570 -0.788 0.00 0.00 +0.023 A ENDBRANCH 3 6 ENDBRANCH 1 2 BRANCH 1 12 ATOM 12 N LIG 1 -2.215 1.362 0.173 0.00 0.00 -0.300 N ATOM 13 H LIG 1 -3.204 1.240 0.371 0.00 0.00 +0.150 HD ATOM 14 C LIG 1 -1.779 2.512 -0.444 0.00 0.00 +0.245 C ATOM 15 O LIG 1 -0.678 2.613 -0.975 0.00 0.00 -0.270 OA BRANCH 14 16 ATOM 16 C LIG 1 -2.735 3.656 -0.471 0.00 0.00 +0.037 A ATOM 17 C LIG 1 -2.577 4.628 -1.468 0.00 0.00 +0.013 A ATOM 18 C LIG 1 -3.445 5.720 -1.531 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -4.470 5.849 -0.595 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -4.624 4.893 0.409 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -3.757 3.799 0.475 0.00 0.00 +0.013 A ENDBRANCH 14 16 ENDBRANCH 1 12 BRANCH 1 22 ATOM 22 C LIG 1 -0.572 0.010 1.439 0.00 0.00 +0.032 C BRANCH 22 23 ATOM 23 C LIG 1 0.735 0.806 1.332 0.00 0.00 +0.003 C BRANCH 23 24 ATOM 24 C LIG 1 1.939 0.123 1.993 0.00 0.00 +0.009 C BRANCH 24 25 ATOM 25 C LIG 1 2.283 -1.272 1.453 0.00 0.00 +0.096 C BRANCH 25 28 ATOM 26 N LIG 1 2.938 -0.842 -0.944 0.00 0.00 -0.284 N ATOM 27 H LIG 1 2.473 -0.666 -1.828 0.00 0.00 +0.155 HD ATOM 28 C LIG 1 2.084 -1.423 -0.048 0.00 0.00 +0.217 C ATOM 29 O LIG 1 1.074 -1.998 -0.477 0.00 0.00 -0.275 OA BRANCH 26 31 ATOM 30 C LIG 1 5.173 -0.523 0.043 0.00 0.00 +0.046 A ATOM 31 C LIG 1 4.048 -0.030 -0.647 0.00 0.00 +0.054 A ATOM 32 C LIG 1 4.020 1.292 -1.109 0.00 0.00 +0.025 A ATOM 33 C LIG 1 5.080 2.153 -0.829 0.00 0.00 +0.002 A ATOM 34 C LIG 1 6.186 1.686 -0.125 0.00 0.00 +0.002 A ATOM 35 C LIG 1 6.241 0.351 0.285 0.00 0.00 +0.024 A BRANCH 30 36 ATOM 36 N LIG 1 5.377 -1.899 0.239 0.00 0.00 -0.357 N ATOM 37 H LIG 1 4.543 -2.470 0.173 0.00 0.00 +0.142 HD ATOM 38 H LIG 1 5.987 -2.137 1.013 0.00 0.00 +0.142 HD ENDBRANCH 30 36 ENDBRANCH 26 31 ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 11