REMARK Name = BDB016750 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.940 -2.148 0.863 0.00 0.00 -0.041 A ATOM 2 C LIG 1 4.040 -2.119 -0.541 0.00 0.00 +0.031 A ATOM 3 C LIG 1 2.976 -1.593 -1.282 0.00 0.00 +0.067 A ATOM 4 C LIG 1 1.799 -1.129 -0.707 0.00 0.00 +0.027 A ATOM 5 C LIG 1 0.999 -0.693 -1.810 0.00 0.00 +0.093 A ATOM 6 N LIG 1 1.657 -0.830 -2.970 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 1.685 -1.179 0.695 0.00 0.00 +0.012 A ATOM 8 N LIG 1 2.820 -1.399 -2.626 0.00 0.00 -0.276 N ATOM 9 H LIG 1 3.483 -1.619 -3.361 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 2.751 -1.692 1.453 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 6.778 1.359 -0.178 0.00 0.00 +0.120 A ATOM 12 C LIG 1 6.129 0.390 0.597 0.00 0.00 +0.052 A ATOM 13 C LIG 1 6.818 -0.764 0.949 0.00 0.00 -0.007 A ATOM 14 C LIG 1 6.439 -1.991 1.731 0.00 0.00 +0.081 C ATOM 15 C LIG 1 5.084 -2.672 1.702 0.00 0.00 +0.040 C ATOM 16 C LIG 1 7.699 -2.826 1.737 0.00 0.00 +0.228 C ATOM 17 N LIG 1 8.652 -2.130 1.016 0.00 0.00 -0.284 N ATOM 18 H LIG 1 9.589 -2.474 0.875 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 7.824 -3.910 2.282 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 5.545 -1.919 2.935 0.00 0.00 +0.031 C ATOM 21 C LIG 1 8.154 -0.913 0.544 0.00 0.00 +0.038 A ATOM 22 C LIG 1 8.829 0.029 -0.200 0.00 0.00 +0.027 A ATOM 23 C LIG 1 8.121 1.176 -0.562 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 4.812 2.669 -0.441 0.00 0.00 +0.277 C ATOM 25 O LIG 1 6.217 2.527 -0.622 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 -0.319 -0.132 -1.772 0.00 0.00 +0.031 C ATOM 27 C LIG 1 -1.291 -0.431 -0.894 0.00 0.00 +0.010 C BRANCH 27 28 ATOM 28 C LIG 1 -2.633 0.168 -0.917 0.00 0.00 -0.025 A ATOM 29 C LIG 1 -3.276 0.440 0.292 0.00 0.00 +0.010 A ATOM 30 C LIG 1 -4.568 0.988 0.313 0.00 0.00 +0.024 A ATOM 31 C LIG 1 -5.267 1.266 -0.868 0.00 0.00 +0.030 A ATOM 32 C LIG 1 -4.610 0.973 -2.074 0.00 0.00 +0.024 A ATOM 33 C LIG 1 -3.319 0.428 -2.104 0.00 0.00 +0.010 A BRANCH 31 34 ATOM 34 N LIG 1 -6.555 1.810 -0.896 0.00 0.00 -0.327 N ATOM 35 C LIG 1 -7.537 0.994 -1.655 0.00 0.00 +0.120 C ATOM 36 C LIG 1 -8.997 1.355 -1.290 0.00 0.00 +0.103 C ATOM 37 N LIG 1 -9.330 1.278 0.150 0.00 0.00 -0.302 NA ATOM 38 C LIG 1 -9.880 -0.025 0.512 0.00 0.00 +0.105 C ATOM 39 C LIG 1 -8.153 1.598 0.994 0.00 0.00 +0.103 C ATOM 40 C LIG 1 -7.114 2.494 0.287 0.00 0.00 +0.120 C ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 5 26 TORSDOF 5