REMARK Name = BDB015182 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.288 -1.270 -1.282 0.00 0.00 -0.341 N ATOM 2 H LIG 1 -0.402 -2.014 -1.189 0.00 0.00 +0.146 HD ENDROOT BRANCH 1 7 ATOM 3 C LIG 1 3.984 -1.657 -0.889 0.00 0.00 +0.073 A ATOM 4 N LIG 1 4.166 -2.927 -1.327 0.00 0.00 -0.255 NA ATOM 5 C LIG 1 3.078 -3.608 -1.734 0.00 0.00 +0.113 A ATOM 6 C LIG 1 1.794 -3.091 -1.712 0.00 0.00 +0.042 A ATOM 7 C LIG 1 1.586 -1.800 -1.227 0.00 0.00 +0.031 A ATOM 8 C LIG 1 2.715 -1.069 -0.848 0.00 0.00 +0.051 A BRANCH 3 15 ATOM 9 C LIG 1 5.876 2.057 2.918 0.00 0.00 +0.150 C ATOM 10 N LIG 1 6.753 1.515 1.912 0.00 0.00 -0.333 N ATOM 11 C LIG 1 6.410 0.610 0.939 0.00 0.00 +0.069 A ATOM 12 C LIG 1 7.596 0.403 0.241 0.00 0.00 +0.089 A ATOM 13 C LIG 1 7.610 -0.493 -0.834 0.00 0.00 +0.030 A ATOM 14 C LIG 1 6.419 -1.153 -1.175 0.00 0.00 +0.012 A ATOM 15 C LIG 1 5.212 -0.939 -0.480 0.00 0.00 +0.002 A ATOM 16 N LIG 1 8.615 1.160 0.764 0.00 0.00 -0.236 NA ATOM 17 C LIG 1 5.210 -0.040 0.609 0.00 0.00 +0.038 A ATOM 18 C LIG 1 8.077 1.816 1.767 0.00 0.00 +0.200 A ENDBRANCH 3 15 ENDBRANCH 1 7 BRANCH 1 19 ATOM 19 C LIG 1 -0.037 -0.066 -0.501 0.00 0.00 +0.134 C BRANCH 19 20 ATOM 20 C LIG 1 -1.501 0.366 -0.751 0.00 0.00 +0.145 C BRANCH 20 21 ATOM 21 O LIG 1 -1.732 0.432 -2.163 0.00 0.00 -0.389 OA ATOM 22 H LIG 1 -1.173 -0.264 -2.562 0.00 0.00 +0.210 HD ENDBRANCH 20 21 BRANCH 20 23 ATOM 23 C LIG 1 -2.512 -0.583 -0.058 0.00 0.00 +0.117 C BRANCH 23 24 ATOM 24 N LIG 1 -3.943 -0.279 -0.265 0.00 0.00 -0.295 NA ATOM 25 C LIG 1 -4.293 1.093 0.145 0.00 0.00 +0.120 C ATOM 26 C LIG 1 -5.781 1.379 0.185 0.00 0.00 -0.030 A ATOM 27 C LIG 1 -6.724 0.337 0.185 0.00 0.00 -0.042 A ATOM 28 C LIG 1 -8.092 0.634 0.243 0.00 0.00 +0.004 A ATOM 29 C LIG 1 -8.523 1.957 0.328 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -7.592 2.992 0.347 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -6.260 -1.089 0.055 0.00 0.00 +0.051 C ATOM 32 C LIG 1 -6.228 2.706 0.277 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -4.786 -1.255 0.443 0.00 0.00 +0.089 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 7