REMARK Name = BDB016705 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.348 0.547 2.189 0.00 0.00 -0.041 A ATOM 2 C LIG 1 4.368 -0.812 1.822 0.00 0.00 +0.031 A ATOM 3 C LIG 1 3.157 -1.448 1.526 0.00 0.00 +0.067 A ATOM 4 C LIG 1 1.926 -0.810 1.597 0.00 0.00 +0.027 A ATOM 5 C LIG 1 0.971 -1.806 1.224 0.00 0.00 +0.093 A ATOM 6 N LIG 1 1.571 -2.973 0.942 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 1.895 0.541 1.987 0.00 0.00 +0.012 A ATOM 8 N LIG 1 2.876 -2.725 1.130 0.00 0.00 -0.276 N ATOM 9 H LIG 1 3.534 -3.478 0.968 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 3.103 1.194 2.279 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 5.974 0.521 -2.194 0.00 0.00 +0.120 A ATOM 12 C LIG 1 5.678 0.995 -0.907 0.00 0.00 +0.052 A ATOM 13 C LIG 1 6.681 1.049 0.049 0.00 0.00 -0.007 A ATOM 14 C LIG 1 6.721 1.494 1.483 0.00 0.00 +0.081 C ATOM 15 C LIG 1 5.634 1.271 2.516 0.00 0.00 +0.040 C ATOM 16 C LIG 1 8.169 1.321 1.880 0.00 0.00 +0.228 C ATOM 17 N LIG 1 8.833 0.806 0.781 0.00 0.00 -0.284 N ATOM 18 H LIG 1 9.821 0.606 0.786 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 8.640 1.589 2.973 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 5.907 2.658 1.970 0.00 0.00 +0.031 C ATOM 21 C LIG 1 7.975 0.644 -0.309 0.00 0.00 +0.038 A ATOM 22 C LIG 1 8.305 0.175 -1.563 0.00 0.00 +0.027 A ATOM 23 C LIG 1 7.282 0.113 -2.515 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 5.126 0.009 -4.360 0.00 0.00 +0.277 C ATOM 25 O LIG 1 4.904 0.507 -3.047 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 -0.447 -1.595 1.161 0.00 0.00 +0.031 C ATOM 27 C LIG 1 -1.344 -2.523 0.786 0.00 0.00 +0.010 C BRANCH 27 28 ATOM 28 C LIG 1 -2.789 -2.279 0.719 0.00 0.00 -0.025 A ATOM 29 C LIG 1 -3.511 -2.769 -0.374 0.00 0.00 +0.008 A ATOM 30 C LIG 1 -4.892 -2.570 -0.462 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -5.580 -1.880 0.544 0.00 0.00 -0.047 A ATOM 32 C LIG 1 -4.861 -1.421 1.654 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -3.479 -1.617 1.740 0.00 0.00 +0.008 A BRANCH 31 34 ATOM 34 C LIG 1 -7.070 -1.680 0.456 0.00 0.00 +0.038 C BRANCH 34 35 ATOM 35 C LIG 1 -7.608 -0.398 -0.220 0.00 0.00 -0.004 C ATOM 36 C LIG 1 -7.298 0.902 0.541 0.00 0.00 +0.019 C ATOM 37 C LIG 1 -6.017 1.610 0.093 0.00 0.00 +0.084 C ATOM 38 N LIG 1 -5.900 1.783 -1.357 0.00 0.00 -0.305 NA ATOM 39 C LIG 1 -6.828 2.777 -1.885 0.00 0.00 +0.104 C ATOM 40 C LIG 1 -6.005 0.489 -2.036 0.00 0.00 +0.084 C ATOM 41 C LIG 1 -7.288 -0.284 -1.719 0.00 0.00 +0.019 C ENDBRANCH 34 35 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 5 26 TORSDOF 6