REMARK Name = BDB038351 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.971 -2.515 -0.906 0.00 0.00 +0.121 A ATOM 2 N LIG 1 -0.652 -2.299 -0.788 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 -0.233 -1.215 -0.111 0.00 0.00 +0.128 A ATOM 4 C LIG 1 -1.117 -0.345 0.513 0.00 0.00 +0.054 A ATOM 5 C LIG 1 -2.485 -0.593 0.424 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.917 -1.693 -0.314 0.00 0.00 +0.053 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -3.448 0.270 1.107 0.00 0.00 +0.079 A ATOM 8 N LIG 1 -4.264 -0.165 2.131 0.00 0.00 -0.266 N ATOM 9 C LIG 1 -4.295 -1.478 2.738 0.00 0.00 +0.173 C ATOM 10 N LIG 1 -5.098 0.785 2.601 0.00 0.00 -0.179 NA ATOM 11 C LIG 1 -4.785 1.861 1.880 0.00 0.00 +0.146 A ATOM 12 C LIG 1 -3.765 1.611 0.945 0.00 0.00 +0.064 A BRANCH 12 13 ATOM 13 C LIG 1 -3.113 2.593 -0.078 0.00 0.00 +0.167 A ATOM 14 N LIG 1 -3.401 3.917 -0.296 0.00 0.00 -0.316 N ATOM 15 C LIG 1 -4.389 4.737 0.346 0.00 0.00 +0.152 C ATOM 16 C LIG 1 -2.553 4.338 -1.275 0.00 0.00 +0.225 A ATOM 17 N LIG 1 -1.784 3.346 -1.648 0.00 0.00 -0.138 NA ATOM 18 N LIG 1 -2.140 2.250 -0.901 0.00 0.00 -0.129 NA ENDBRANCH 12 13 ENDBRANCH 5 7 BRANCH 3 19 ATOM 19 N LIG 1 1.129 -0.927 -0.006 0.00 0.00 -0.265 N ATOM 20 H LIG 1 1.408 -0.082 0.482 0.00 0.00 +0.157 HD ATOM 21 C LIG 1 2.166 -1.657 -0.544 0.00 0.00 +0.268 C ATOM 22 O LIG 1 2.107 -2.699 -1.186 0.00 0.00 -0.268 OA BRANCH 21 23 ATOM 23 C LIG 1 3.503 -1.037 -0.260 0.00 0.00 +0.126 A ATOM 24 N LIG 1 3.481 0.107 0.486 0.00 0.00 -0.247 NA ATOM 25 C LIG 1 4.663 0.707 0.777 0.00 0.00 +0.045 A ATOM 26 C LIG 1 5.866 0.156 0.316 0.00 0.00 +0.027 A ATOM 27 C LIG 1 5.875 -1.011 -0.459 0.00 0.00 -0.047 A ATOM 28 C LIG 1 7.166 -1.614 -0.921 0.00 0.00 +0.044 C ATOM 29 C LIG 1 4.661 -1.627 -0.742 0.00 0.00 +0.036 A BRANCH 25 30 ATOM 30 C LIG 1 4.592 1.973 1.610 0.00 0.00 +0.038 C ATOM 31 C LIG 1 5.554 3.119 1.409 0.00 0.00 +0.010 C ATOM 32 C LIG 1 5.628 2.292 2.662 0.00 0.00 +0.010 C ENDBRANCH 25 30 ENDBRANCH 21 23 ENDBRANCH 3 19 BRANCH 1 33 ATOM 33 N LIG 1 -2.331 -3.651 -1.641 0.00 0.00 -0.329 N ATOM 34 H LIG 1 -1.416 -4.042 -1.885 0.00 0.00 +0.147 HD BRANCH 33 36 ATOM 35 C LIG 1 -3.293 -4.592 -3.665 0.00 0.00 +0.024 C ATOM 36 C LIG 1 -3.075 -3.324 -2.855 0.00 0.00 +0.099 C ENDBRANCH 33 36 ENDBRANCH 1 33 TORSDOF 7