REMARK Name = BDB003693 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.360 -0.548 -0.609 0.00 0.00 +0.041 A ATOM 2 C LIG 1 -2.417 0.800 -0.208 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -3.546 1.761 -0.291 0.00 0.00 +0.196 C ATOM 4 C LIG 1 -3.324 3.166 0.220 0.00 0.00 +0.033 A ATOM 5 C LIG 1 -2.080 3.512 0.805 0.00 0.00 +0.031 A ATOM 6 C LIG 1 -1.102 2.457 0.850 0.00 0.00 +0.176 A ATOM 7 O LIG 1 0.133 2.580 1.383 0.00 0.00 -0.353 OA ATOM 8 N LIG 1 0.805 1.357 1.251 0.00 0.00 -0.076 NA ATOM 9 C LIG 1 -0.036 0.493 0.628 0.00 0.00 +0.136 A ATOM 10 C LIG 1 0.090 -0.865 0.211 0.00 0.00 +0.061 A ATOM 11 C LIG 1 -1.868 4.802 1.288 0.00 0.00 +0.012 A ATOM 12 C LIG 1 -2.894 5.746 1.189 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -4.123 5.405 0.613 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -4.343 4.114 0.127 0.00 0.00 +0.012 A ATOM 15 O LIG 1 -4.630 1.403 -0.737 0.00 0.00 -0.287 OA ATOM 16 C LIG 1 -1.242 1.196 0.383 0.00 0.00 +0.063 A ATOM 17 C LIG 1 -1.145 -1.316 -0.398 0.00 0.00 +0.049 A ENDROOT BRANCH 10 18 ATOM 18 N LIG 1 1.175 -1.737 0.376 0.00 0.00 -0.325 N ATOM 19 C LIG 1 2.342 -1.286 1.169 0.00 0.00 +0.124 C ATOM 20 C LIG 1 3.360 -0.511 0.310 0.00 0.00 +0.127 C ATOM 21 N LIG 1 3.735 -1.243 -0.913 0.00 0.00 -0.292 N ATOM 22 C LIG 1 4.883 -0.908 -1.651 0.00 0.00 +0.282 C ATOM 23 O LIG 1 4.876 -0.986 -2.882 0.00 0.00 -0.267 OA ATOM 24 C LIG 1 2.590 -1.750 -1.680 0.00 0.00 +0.127 C ATOM 25 C LIG 1 1.594 -2.532 -0.805 0.00 0.00 +0.124 C BRANCH 22 26 ATOM 26 C LIG 1 6.082 -0.494 -0.941 0.00 0.00 +0.189 A ATOM 27 O LIG 1 6.316 -0.905 0.346 0.00 0.00 -0.458 OA ATOM 28 C LIG 1 7.524 -0.411 0.717 0.00 0.00 +0.196 A ATOM 29 C LIG 1 8.093 0.298 -0.313 0.00 0.00 +0.042 A ATOM 30 C LIG 1 7.173 0.232 -1.386 0.00 0.00 +0.054 A ENDBRANCH 22 26 ENDBRANCH 10 18 BRANCH 1 31 ATOM 31 N LIG 1 -3.463 -1.121 -1.274 0.00 0.00 -0.343 N ATOM 32 H LIG 1 -4.242 -0.448 -1.331 0.00 0.00 +0.146 HD BRANCH 31 33 ATOM 33 C LIG 1 -3.924 -2.460 -0.893 0.00 0.00 +0.112 C BRANCH 33 34 ATOM 34 C LIG 1 -4.556 -2.453 0.495 0.00 0.00 +0.139 C BRANCH 34 36 ATOM 35 O LIG 1 -4.967 -4.817 0.154 0.00 0.00 -0.251 OA ATOM 36 C LIG 1 -5.091 -3.816 0.840 0.00 0.00 +0.306 C BRANCH 36 37 ATOM 37 O LIG 1 -5.738 -3.830 2.029 0.00 0.00 -0.481 OA ATOM 38 H LIG 1 -5.765 -2.964 2.478 0.00 0.00 +0.295 HD ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 31 33 ENDBRANCH 1 31 TORSDOF 7