REMARK Name = BDB001486 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.380 -0.540 -1.264 0.00 0.00 +0.151 A ATOM 2 C LIG 1 -4.867 -0.344 0.057 0.00 0.00 +0.018 A ATOM 3 C LIG 1 -5.472 0.194 1.346 0.00 0.00 -0.001 C ATOM 4 C LIG 1 -4.527 -0.142 2.567 0.00 0.00 +0.050 C ATOM 5 C LIG 1 -3.051 -0.142 2.279 0.00 0.00 -0.001 A ATOM 6 C LIG 1 -2.555 -0.487 1.037 0.00 0.00 +0.097 A ATOM 7 N LIG 1 -1.248 -0.600 0.749 0.00 0.00 -0.212 NA ATOM 8 C LIG 1 -0.389 -0.327 1.744 0.00 0.00 +0.220 A ATOM 9 N LIG 1 -0.774 0.033 2.983 0.00 0.00 -0.222 NA ATOM 10 C LIG 1 -2.095 0.096 3.232 0.00 0.00 +0.120 A ATOM 11 C LIG 1 -5.627 1.724 1.250 0.00 0.00 +0.016 C ATOM 12 C LIG 1 -6.834 -0.443 1.682 0.00 0.00 +0.016 C ATOM 13 C LIG 1 -3.517 -0.663 -0.037 0.00 0.00 +0.092 A ATOM 14 N LIG 1 -3.311 -1.083 -1.317 0.00 0.00 -0.264 N ATOM 15 C LIG 1 -2.079 -1.530 -1.923 0.00 0.00 +0.173 C ATOM 16 N LIG 1 -4.428 -1.062 -2.069 0.00 0.00 -0.166 NA ENDROOT BRANCH 1 20 ATOM 17 C LIG 1 -8.071 -0.565 -3.876 0.00 0.00 +0.128 C ATOM 18 N LIG 1 -6.849 -0.673 -3.131 0.00 0.00 -0.313 N ATOM 19 H LIG 1 -6.042 -1.167 -3.506 0.00 0.00 +0.149 HD ATOM 20 C LIG 1 -6.715 -0.244 -1.828 0.00 0.00 +0.264 C ATOM 21 O LIG 1 -7.610 0.333 -1.220 0.00 0.00 -0.268 OA ENDBRANCH 1 20 BRANCH 8 22 ATOM 22 N LIG 1 0.989 -0.338 1.549 0.00 0.00 -0.283 N ATOM 23 H LIG 1 1.442 -0.013 2.391 0.00 0.00 +0.155 HD BRANCH 22 24 ATOM 24 C LIG 1 1.815 -0.920 0.581 0.00 0.00 +0.037 A ATOM 25 C LIG 1 3.144 -0.468 0.470 0.00 0.00 +0.069 A ATOM 26 C LIG 1 4.006 -0.979 -0.504 0.00 0.00 +0.123 A ATOM 27 C LIG 1 3.532 -1.940 -1.395 0.00 0.00 +0.046 A ATOM 28 C LIG 1 2.217 -2.391 -1.312 0.00 0.00 +0.005 A ATOM 29 C LIG 1 1.367 -1.877 -0.332 0.00 0.00 +0.023 A BRANCH 26 30 ATOM 30 O LIG 1 5.308 -0.614 -0.708 0.00 0.00 -0.489 OA BRANCH 30 31 ATOM 31 C LIG 1 5.955 0.241 0.244 0.00 0.00 +0.176 C ATOM 32 C LIG 1 5.682 1.719 -0.074 0.00 0.00 +0.060 C ATOM 33 C LIG 1 6.801 2.325 -0.917 0.00 0.00 +0.087 C ATOM 34 N LIG 1 8.121 2.254 -0.276 0.00 0.00 -0.305 NA ATOM 35 C LIG 1 8.486 3.503 0.387 0.00 0.00 +0.104 C ATOM 36 C LIG 1 8.282 1.111 0.632 0.00 0.00 +0.087 C ATOM 37 C LIG 1 7.454 -0.086 0.182 0.00 0.00 +0.060 C ENDBRANCH 30 31 ENDBRANCH 26 30 ENDBRANCH 22 24 ENDBRANCH 8 22 TORSDOF 5