REMARK Name = BDB029707 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.498 -1.814 0.866 0.00 0.00 +0.121 C ENDROOT BRANCH 1 11 ATOM 2 C LIG 1 -5.441 0.520 -0.472 0.00 0.00 +0.019 A ATOM 3 C LIG 1 -4.864 -0.050 -1.735 0.00 0.00 +0.252 A ATOM 4 O LIG 1 -5.479 -0.029 -2.796 0.00 0.00 -0.268 OA ATOM 5 N LIG 1 -3.610 -0.599 -1.657 0.00 0.00 -0.321 N ATOM 6 H LIG 1 -3.241 -0.980 -2.517 0.00 0.00 +0.169 HD ATOM 7 C LIG 1 -2.863 -0.637 -0.474 0.00 0.00 +0.068 A ATOM 8 C LIG 1 -3.390 -0.101 0.698 0.00 0.00 +0.088 A ATOM 9 N LIG 1 -2.740 -0.100 1.879 0.00 0.00 -0.253 NA ATOM 10 C LIG 1 -1.506 -0.659 1.884 0.00 0.00 +0.116 A ATOM 11 C LIG 1 -0.882 -1.213 0.765 0.00 0.00 -0.013 A ATOM 12 C LIG 1 -1.594 -1.203 -0.441 0.00 0.00 +0.034 A ATOM 13 C LIG 1 -4.721 0.495 0.664 0.00 0.00 +0.038 A BRANCH 2 15 ATOM 14 C LIG 1 -7.915 0.088 -0.572 0.00 0.00 +0.009 C ATOM 15 C LIG 1 -6.810 1.136 -0.556 0.00 0.00 +0.037 C ENDBRANCH 2 15 ENDBRANCH 1 11 BRANCH 1 16 ATOM 16 N LIG 1 1.627 -0.902 0.693 0.00 0.00 -0.295 NA ATOM 17 C LIG 1 1.736 0.179 1.677 0.00 0.00 +0.103 C ATOM 18 C LIG 1 3.120 0.877 1.626 0.00 0.00 +0.120 C ATOM 19 N LIG 1 3.601 1.128 0.246 0.00 0.00 -0.325 N ATOM 20 C LIG 1 2.570 0.943 -0.798 0.00 0.00 +0.120 C ATOM 21 C LIG 1 1.847 -0.426 -0.684 0.00 0.00 +0.103 C BRANCH 19 22 ATOM 22 C LIG 1 4.850 0.592 -0.115 0.00 0.00 +0.066 A ATOM 23 C LIG 1 5.785 1.322 -0.875 0.00 0.00 +0.161 A ATOM 24 N LIG 1 6.998 0.843 -1.276 0.00 0.00 -0.243 NA ATOM 25 C LIG 1 7.307 -0.417 -0.911 0.00 0.00 +0.112 A ATOM 26 C LIG 1 6.464 -1.226 -0.173 0.00 0.00 +0.022 A ATOM 27 C LIG 1 5.228 -0.715 0.222 0.00 0.00 +0.027 A BRANCH 23 28 ATOM 28 C LIG 1 5.517 2.675 -1.290 0.00 0.00 +0.121 C ATOM 29 N LIG 1 5.293 3.761 -1.642 0.00 0.00 -0.189 NA ENDBRANCH 23 28 ENDBRANCH 19 22 ENDBRANCH 1 16 TORSDOF 5