REMARK Name = BDB028449 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.094 0.612 0.927 0.00 0.00 +0.087 A ATOM 2 C LIG 1 1.715 0.738 1.464 0.00 0.00 +0.012 A ATOM 3 C LIG 1 1.508 1.665 2.481 0.00 0.00 +0.050 A ATOM 4 C LIG 1 0.236 1.842 3.032 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -0.837 1.083 2.560 0.00 0.00 +0.009 A ATOM 6 C LIG 1 -0.656 0.139 1.536 0.00 0.00 -0.016 A ATOM 7 C LIG 1 2.643 2.463 2.971 0.00 0.00 +0.272 A ATOM 8 O LIG 1 2.504 3.290 3.864 0.00 0.00 -0.266 OA ATOM 9 N LIG 1 3.852 2.222 2.368 0.00 0.00 -0.242 N ATOM 10 H LIG 1 4.649 2.763 2.691 0.00 0.00 +0.192 HD ATOM 11 C LIG 1 0.634 -0.023 0.994 0.00 0.00 +0.019 A ATOM 12 N LIG 1 4.088 1.327 1.372 0.00 0.00 -0.174 NA ENDROOT BRANCH 6 13 ATOM 13 C LIG 1 -1.788 -0.655 1.038 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -2.959 -0.051 0.559 0.00 0.00 +0.015 A ATOM 15 C LIG 1 -4.025 -0.824 0.078 0.00 0.00 -0.026 A ATOM 16 C LIG 1 -3.866 -2.206 0.108 0.00 0.00 +0.114 A ATOM 17 N LIG 1 -2.760 -2.835 0.560 0.00 0.00 -0.262 NA ATOM 18 C LIG 1 -1.757 -2.049 1.013 0.00 0.00 +0.119 A BRANCH 15 19 ATOM 19 C LIG 1 -5.288 -0.164 -0.432 0.00 0.00 +0.021 C ATOM 20 C LIG 1 -5.675 -0.623 -1.845 0.00 0.00 +0.008 C ATOM 21 C LIG 1 -6.852 0.186 -2.399 0.00 0.00 +0.001 C ATOM 22 C LIG 1 -7.816 0.682 -1.320 0.00 0.00 +0.000 C ATOM 23 C LIG 1 -7.837 -0.241 -0.109 0.00 0.00 +0.001 C ATOM 24 C LIG 1 -6.460 -0.352 0.553 0.00 0.00 +0.008 C ENDBRANCH 15 19 ENDBRANCH 6 13 BRANCH 1 25 ATOM 25 C LIG 1 3.342 -0.401 -0.196 0.00 0.00 +0.174 C BRANCH 25 28 ATOM 26 O LIG 1 5.553 -2.046 0.857 0.00 0.00 -0.270 OA ATOM 27 C LIG 1 5.683 -1.204 -0.011 0.00 0.00 +0.254 C ATOM 28 N LIG 1 4.730 -0.419 -0.598 0.00 0.00 -0.228 N ATOM 29 C LIG 1 5.255 0.396 -1.561 0.00 0.00 +0.254 C ATOM 30 O LIG 1 4.689 1.193 -2.283 0.00 0.00 -0.270 OA ATOM 31 C LIG 1 6.691 0.118 -1.596 0.00 0.00 +0.049 A ATOM 32 C LIG 1 7.689 0.661 -2.381 0.00 0.00 +0.014 A ATOM 33 C LIG 1 8.988 0.182 -2.183 0.00 0.00 +0.001 A ATOM 34 C LIG 1 9.254 -0.813 -1.218 0.00 0.00 +0.001 A ATOM 35 C LIG 1 8.225 -1.347 -0.436 0.00 0.00 +0.014 A ATOM 36 C LIG 1 6.951 -0.858 -0.650 0.00 0.00 +0.049 A ENDBRANCH 25 28 ENDBRANCH 1 25 TORSDOF 4