REMARK Name = BDB029641 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.302 -1.754 0.691 0.00 0.00 -0.295 NA ATOM 2 C LIG 1 1.984 -0.467 1.355 0.00 0.00 +0.103 C ATOM 3 C LIG 1 0.687 0.225 0.875 0.00 0.00 +0.120 C ATOM 4 N LIG 1 -0.469 -0.695 0.940 0.00 0.00 -0.326 N ATOM 5 C LIG 1 -0.220 -2.016 0.316 0.00 0.00 +0.120 C ATOM 6 C LIG 1 1.114 -2.629 0.808 0.00 0.00 +0.103 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -1.751 -0.168 0.724 0.00 0.00 +0.048 A ATOM 8 C LIG 1 -2.909 -0.914 0.995 0.00 0.00 +0.134 A ATOM 9 N LIG 1 -4.191 -0.499 0.822 0.00 0.00 -0.249 NA ATOM 10 C LIG 1 -4.345 0.770 0.366 0.00 0.00 +0.125 A ATOM 11 C LIG 1 -3.285 1.616 0.083 0.00 0.00 +0.035 A ATOM 12 C LIG 1 -1.985 1.138 0.272 0.00 0.00 +0.027 A BRANCH 10 13 ATOM 13 C LIG 1 -5.754 1.239 0.166 0.00 0.00 +0.263 C ATOM 14 N LIG 1 -6.714 0.322 0.543 0.00 0.00 -0.307 N ATOM 15 H LIG 1 -6.357 -0.598 0.796 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 -6.005 2.342 -0.305 0.00 0.00 -0.269 OA BRANCH 14 17 ATOM 17 C LIG 1 -8.127 0.507 0.266 0.00 0.00 +0.078 C ATOM 18 C LIG 1 -8.458 0.140 -1.182 0.00 0.00 +0.050 C ATOM 19 C LIG 1 -9.959 0.229 -1.417 0.00 0.00 +0.161 C ATOM 20 O LIG 1 -10.664 -0.598 -0.491 0.00 0.00 -0.380 OA ATOM 21 C LIG 1 -10.452 -0.196 0.862 0.00 0.00 +0.161 C ATOM 22 C LIG 1 -8.981 -0.313 1.232 0.00 0.00 +0.050 C ENDBRANCH 14 17 ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 23 ATOM 23 C LIG 1 2.708 -1.592 -0.714 0.00 0.00 +0.121 C BRANCH 23 33 ATOM 24 C LIG 1 8.832 0.638 -0.803 0.00 0.00 +0.019 A ATOM 25 C LIG 1 8.765 -0.511 0.161 0.00 0.00 +0.252 A ATOM 26 O LIG 1 9.752 -0.898 0.777 0.00 0.00 -0.268 OA ATOM 27 N LIG 1 7.545 -1.116 0.326 0.00 0.00 -0.321 N ATOM 28 H LIG 1 7.514 -1.885 0.982 0.00 0.00 +0.169 HD ATOM 29 C LIG 1 6.394 -0.719 -0.362 0.00 0.00 +0.068 A ATOM 30 C LIG 1 6.454 0.338 -1.267 0.00 0.00 +0.088 A ATOM 31 N LIG 1 5.393 0.782 -1.974 0.00 0.00 -0.253 NA ATOM 32 C LIG 1 4.221 0.139 -1.762 0.00 0.00 +0.116 A ATOM 33 C LIG 1 4.052 -0.922 -0.872 0.00 0.00 -0.013 A ATOM 34 C LIG 1 5.179 -1.362 -0.165 0.00 0.00 +0.034 A ATOM 35 C LIG 1 7.729 1.014 -1.476 0.00 0.00 +0.038 A BRANCH 24 37 ATOM 36 C LIG 1 10.514 2.249 0.140 0.00 0.00 +0.009 C ATOM 37 C LIG 1 10.169 1.297 -0.997 0.00 0.00 +0.037 C ENDBRANCH 24 37 ENDBRANCH 23 33 ENDBRANCH 1 23 TORSDOF 6