REMARK Name = BDB031764 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.869 0.292 -2.391 0.00 0.00 -0.041 A ATOM 2 C LIG 1 0.972 -0.762 -2.646 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -0.258 -0.774 -1.978 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -0.650 0.211 -1.083 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.952 -0.184 -0.635 0.00 0.00 +0.153 A ATOM 6 N LIG 1 -2.330 -1.327 -1.219 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 0.233 1.280 -0.838 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -1.303 -1.653 -2.014 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -1.377 -2.501 -2.564 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 1.470 1.304 -1.501 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 4.389 -0.544 1.459 0.00 0.00 +0.120 A ATOM 12 C LIG 1 3.980 -0.604 0.119 0.00 0.00 +0.052 A ATOM 13 C LIG 1 4.670 0.125 -0.839 0.00 0.00 -0.007 A ATOM 14 C LIG 1 4.518 0.285 -2.325 0.00 0.00 +0.081 C ATOM 15 C LIG 1 3.209 0.365 -3.085 0.00 0.00 +0.040 C ATOM 16 C LIG 1 5.660 1.196 -2.714 0.00 0.00 +0.228 C ATOM 17 N LIG 1 6.338 1.516 -1.551 0.00 0.00 -0.284 N ATOM 18 H LIG 1 7.152 2.111 -1.542 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 5.915 1.566 -3.848 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 4.095 -0.860 -3.201 0.00 0.00 +0.031 C ATOM 21 C LIG 1 5.773 0.892 -0.438 0.00 0.00 +0.038 A ATOM 22 C LIG 1 6.205 0.974 0.869 0.00 0.00 +0.027 A ATOM 23 C LIG 1 5.495 0.244 1.828 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 3.990 -1.285 3.687 0.00 0.00 +0.277 C ATOM 25 O LIG 1 3.630 -1.300 2.312 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -2.658 0.555 0.268 0.00 0.00 -0.283 N ATOM 27 H LIG 1 -2.188 1.393 0.591 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.897 0.292 0.774 0.00 0.00 +0.122 A ATOM 29 N LIG 1 -4.515 1.119 1.690 0.00 0.00 -0.253 N ATOM 30 C LIG 1 -4.001 2.346 2.250 0.00 0.00 +0.174 C ATOM 31 N LIG 1 -5.734 0.690 2.078 0.00 0.00 -0.175 NA ATOM 32 C LIG 1 -5.898 -0.433 1.380 0.00 0.00 +0.068 A ATOM 33 C LIG 1 -4.795 -0.733 0.564 0.00 0.00 +0.068 A BRANCH 32 34 ATOM 34 C LIG 1 -7.167 -1.316 1.486 0.00 0.00 +0.040 C ATOM 35 C LIG 1 -8.525 -0.667 1.401 0.00 0.00 +0.010 C ATOM 36 C LIG 1 -8.030 -1.516 0.267 0.00 0.00 +0.010 C ENDBRANCH 32 34 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 5