REMARK Name = BDB065391 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.222 1.054 1.112 0.00 0.00 +0.113 A ATOM 2 N LIG 1 -0.384 2.036 0.364 0.00 0.00 -0.130 NA ATOM 3 N LIG 1 -1.684 1.780 0.312 0.00 0.00 -0.065 NA ATOM 4 N LIG 1 -1.896 0.651 1.006 0.00 0.00 -0.251 N ATOM 5 C LIG 1 -0.739 0.161 1.533 0.00 0.00 +0.138 A ENDROOT BRANCH 1 9 ATOM 6 C LIG 1 4.435 0.992 1.886 0.00 0.00 -0.028 A ATOM 7 C LIG 1 3.847 2.046 1.178 0.00 0.00 +0.006 A ATOM 8 C LIG 1 2.470 2.056 0.932 0.00 0.00 +0.010 A ATOM 9 C LIG 1 1.649 1.014 1.386 0.00 0.00 +0.004 A ATOM 10 C LIG 1 2.241 -0.041 2.093 0.00 0.00 +0.010 A ATOM 11 C LIG 1 3.618 -0.052 2.340 0.00 0.00 +0.006 A BRANCH 6 12 ATOM 12 C LIG 1 5.926 0.965 2.144 0.00 0.00 +0.161 C BRANCH 12 19 ATOM 13 C LIG 1 7.849 -0.210 -2.267 0.00 0.00 +0.049 C ATOM 14 C LIG 1 7.510 -0.509 -0.847 0.00 0.00 +0.005 A ATOM 15 C LIG 1 7.874 -1.816 -0.241 0.00 0.00 +0.126 A ATOM 16 N LIG 1 7.614 -2.131 0.991 0.00 0.00 -0.178 NA ATOM 17 C LIG 1 6.968 -1.238 1.810 0.00 0.00 +0.350 A ATOM 18 O LIG 1 6.700 -1.541 2.972 0.00 0.00 -0.244 OA ATOM 19 N LIG 1 6.623 0.009 1.287 0.00 0.00 -0.294 N ATOM 20 C LIG 1 6.894 0.341 -0.021 0.00 0.00 +0.097 A BRANCH 15 21 ATOM 21 N LIG 1 8.513 -2.781 -0.974 0.00 0.00 -0.343 N ATOM 22 H LIG 1 8.232 -2.872 -1.942 0.00 0.00 +0.144 HD ATOM 23 H LIG 1 8.507 -3.673 -0.486 0.00 0.00 +0.144 HD ENDBRANCH 15 21 ENDBRANCH 12 19 ENDBRANCH 6 12 ENDBRANCH 1 9 BRANCH 4 24 ATOM 24 C LIG 1 -3.230 0.112 1.137 0.00 0.00 +0.145 C BRANCH 24 25 ATOM 25 C LIG 1 -3.527 -1.028 0.163 0.00 0.00 +0.024 C BRANCH 25 26 ATOM 26 C LIG 1 -3.453 -0.665 -1.327 0.00 0.00 +0.006 C BRANCH 26 27 ATOM 27 C LIG 1 -4.381 0.469 -1.782 0.00 0.00 +0.035 C BRANCH 27 28 ATOM 28 C LIG 1 -5.849 0.212 -1.534 0.00 0.00 -0.047 A ATOM 29 C LIG 1 -6.498 -0.874 -2.140 0.00 0.00 +0.004 A ATOM 30 C LIG 1 -7.854 -1.111 -1.905 0.00 0.00 +0.015 A ATOM 31 C LIG 1 -8.576 -0.250 -1.076 0.00 0.00 +0.059 A ATOM 32 C LIG 1 -7.941 0.833 -0.459 0.00 0.00 +0.015 A ATOM 33 C LIG 1 -6.583 1.064 -0.695 0.00 0.00 +0.004 A BRANCH 31 34 ATOM 34 C LIG 1 -10.011 -0.529 -0.847 0.00 0.00 +0.337 C ATOM 35 O LIG 1 -10.453 -1.649 -0.665 0.00 0.00 -0.245 OA BRANCH 34 36 ATOM 36 O LIG 1 -10.775 0.583 -0.904 0.00 0.00 -0.477 OA ATOM 37 H LIG 1 -10.308 1.376 -1.228 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 4 24 TORSDOF 11