REMARK Name = BDB041084 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.099 -0.624 2.370 0.00 0.00 +0.178 A ATOM 2 C LIG 1 -1.615 -0.137 1.153 0.00 0.00 +0.165 A ATOM 3 N LIG 1 -2.437 0.291 0.175 0.00 0.00 -0.209 NA ATOM 4 C LIG 1 -3.761 0.254 0.418 0.00 0.00 +0.169 A ATOM 5 N LIG 1 -4.324 -0.197 1.553 0.00 0.00 -0.232 NA ATOM 6 C LIG 1 -3.471 -0.620 2.507 0.00 0.00 +0.162 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -4.645 0.683 -0.650 0.00 0.00 +0.102 A ATOM 8 C LIG 1 -4.714 0.014 -1.874 0.00 0.00 +0.062 A ATOM 9 N LIG 1 -5.540 0.437 -2.868 0.00 0.00 -0.239 NA ATOM 10 C LIG 1 -6.295 1.514 -2.628 0.00 0.00 +0.225 A ATOM 11 N LIG 1 -6.310 2.222 -1.498 0.00 0.00 -0.201 NA ATOM 12 C LIG 1 -5.478 1.786 -0.530 0.00 0.00 +0.229 A BRANCH 8 13 ATOM 13 C LIG 1 -3.872 -1.217 -2.168 0.00 0.00 +0.039 C ATOM 14 C LIG 1 -4.171 -2.523 -1.467 0.00 0.00 +0.010 C ATOM 15 C LIG 1 -4.464 -2.382 -2.929 0.00 0.00 +0.010 C ENDBRANCH 8 13 BRANCH 12 16 ATOM 16 O LIG 1 -5.417 2.510 0.650 0.00 0.00 -0.479 OA ATOM 17 C LIG 1 -6.359 3.574 0.723 0.00 0.00 +0.279 C ENDBRANCH 12 16 ENDBRANCH 4 7 BRANCH 1 19 ATOM 18 C LIG 1 -1.700 -1.649 4.475 0.00 0.00 +0.277 C ATOM 19 O LIG 1 -1.186 -1.024 3.306 0.00 0.00 -0.490 OA ENDBRANCH 1 19 BRANCH 2 20 ATOM 20 N LIG 1 -0.227 -0.182 0.911 0.00 0.00 -0.322 N ATOM 21 H LIG 1 0.266 0.067 1.766 0.00 0.00 +0.148 HD BRANCH 20 22 ATOM 22 C LIG 1 0.221 0.582 -0.242 0.00 0.00 +0.138 C BRANCH 22 23 ATOM 23 C LIG 1 1.733 0.547 -0.299 0.00 0.00 -0.030 A ATOM 24 C LIG 1 2.404 -0.655 -0.561 0.00 0.00 +0.006 A ATOM 25 C LIG 1 3.802 -0.700 -0.612 0.00 0.00 +0.010 A ATOM 26 C LIG 1 4.555 0.458 -0.392 0.00 0.00 +0.004 A ATOM 27 C LIG 1 3.883 1.664 -0.137 0.00 0.00 +0.010 A ATOM 28 C LIG 1 2.486 1.708 -0.085 0.00 0.00 +0.006 A BRANCH 26 29 ATOM 29 C LIG 1 6.051 0.474 -0.450 0.00 0.00 +0.114 A ATOM 30 C LIG 1 6.833 -0.728 -0.202 0.00 0.00 +0.164 A ATOM 31 N LIG 1 8.204 -0.639 -0.275 0.00 0.00 -0.303 N ATOM 32 C LIG 1 8.709 -1.880 -0.003 0.00 0.00 +0.112 A ATOM 33 C LIG 1 7.606 -2.668 0.242 0.00 0.00 +0.131 A ATOM 34 C LIG 1 8.820 0.558 -0.573 0.00 0.00 +0.112 A ATOM 35 C LIG 1 8.040 1.631 -0.781 0.00 0.00 +0.129 A ATOM 36 N LIG 1 6.444 -1.944 0.122 0.00 0.00 -0.234 NA ATOM 37 N LIG 1 6.659 1.609 -0.719 0.00 0.00 -0.250 NA ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 2 20 TORSDOF 8