REMARK Name = BDB038992 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.140 -1.667 -0.929 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.377 -0.617 -0.450 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.946 -0.852 -0.289 0.00 0.00 +0.148 C ATOM 4 C LIG 1 3.128 0.393 -0.046 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.728 1.666 0.094 0.00 0.00 -0.039 A ATOM 6 C LIG 1 2.942 2.808 0.299 0.00 0.00 +0.006 A ATOM 7 C LIG 1 1.550 2.729 0.398 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.965 1.463 0.283 0.00 0.00 +0.071 A ATOM 9 N LIG 1 -0.340 1.004 0.303 0.00 0.00 -0.309 N ATOM 10 C LIG 1 -0.303 -0.376 0.191 0.00 0.00 +0.199 A ATOM 11 N LIG 1 0.925 -0.794 -0.006 0.00 0.00 -0.214 NA ATOM 12 C LIG 1 5.224 1.805 -0.040 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.724 0.316 0.068 0.00 0.00 +0.096 A ATOM 14 C LIG 1 5.947 0.501 0.291 0.00 0.00 +0.116 C ATOM 15 O LIG 1 5.673 -2.717 -1.361 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 N LIG 1 -1.423 -1.155 0.231 0.00 0.00 -0.301 N ATOM 17 C LIG 1 -2.126 -1.224 1.529 0.00 0.00 +0.109 C ATOM 18 C LIG 1 -2.211 -2.658 2.049 0.00 0.00 +0.037 C ATOM 19 C LIG 1 -2.945 -3.586 1.050 0.00 0.00 +0.068 C ATOM 20 C LIG 1 -2.542 -5.039 1.358 0.00 0.00 +0.023 C ATOM 21 C LIG 1 -2.604 -3.210 -0.409 0.00 0.00 +0.037 C ATOM 22 C LIG 1 -1.298 -2.429 -0.497 0.00 0.00 +0.109 C BRANCH 19 23 ATOM 23 C LIG 1 -4.451 -3.440 1.240 0.00 0.00 +0.311 C ATOM 24 O LIG 1 -5.027 -2.603 1.918 0.00 0.00 -0.250 OA BRANCH 23 25 ATOM 25 O LIG 1 -5.168 -4.341 0.537 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -6.099 -4.115 0.741 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 10 16 BRANCH 1 28 ATOM 27 C LIG 1 8.296 -2.474 -1.355 0.00 0.00 +0.282 C ATOM 28 O LIG 1 7.477 -1.411 -0.872 0.00 0.00 -0.454 OA ENDBRANCH 1 28 BRANCH 9 29 ATOM 29 C LIG 1 -1.554 1.826 0.310 0.00 0.00 +0.092 C ATOM 30 C LIG 1 -1.715 2.586 1.631 0.00 0.00 +0.031 C BRANCH 29 31 ATOM 31 C LIG 1 -1.626 2.735 -0.935 0.00 0.00 +0.060 C BRANCH 31 32 ATOM 32 C LIG 1 -3.003 3.308 -1.180 0.00 0.00 -0.045 A ATOM 33 C LIG 1 -3.291 4.640 -0.856 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -4.568 5.159 -1.074 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -5.567 4.354 -1.619 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -5.291 3.028 -1.945 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -4.016 2.506 -1.727 0.00 0.00 +0.004 A ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 9 29 TORSDOF 7