REMARK Name = BDB025083 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.555 -1.333 1.702 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.556 -1.605 0.748 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.673 -2.927 0.104 0.00 0.00 +0.082 C ATOM 4 C LIG 1 4.284 -4.049 1.082 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.895 -3.033 -1.204 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.443 -2.670 -0.976 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.357 -1.303 -0.360 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.210 -0.508 -0.596 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.089 -0.822 -1.316 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.705 0.230 -1.265 0.00 0.00 +0.117 A ATOM 11 N LIG 1 -0.121 1.236 -0.507 0.00 0.00 -0.324 N ATOM 12 C LIG 1 1.119 0.781 -0.092 0.00 0.00 +0.069 A ATOM 13 C LIG 1 2.165 1.346 0.635 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.292 0.546 0.882 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.401 -0.786 0.450 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.599 -1.979 1.782 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -0.706 2.541 -0.200 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -0.903 2.771 1.313 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -1.524 4.140 1.639 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -0.792 5.279 0.922 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -0.632 5.036 -0.578 0.00 0.00 +0.003 C ATOM 22 C LIG 1 0.046 3.699 -0.868 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -3.013 4.164 1.328 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -3.574 3.379 0.579 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -3.675 5.158 1.958 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -3.124 5.710 2.544 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 6.247 -0.130 3.597 0.00 0.00 +0.282 C ATOM 28 O LIG 1 5.255 -0.347 2.593 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.027 0.306 -1.978 0.00 0.00 +0.131 C BRANCH 29 30 ATOM 30 C LIG 1 -3.114 -0.524 -1.341 0.00 0.00 +0.067 A ATOM 31 N LIG 1 -3.688 -1.501 -2.097 0.00 0.00 -0.253 NA ATOM 32 C LIG 1 -4.675 -2.251 -1.536 0.00 0.00 +0.063 A ATOM 33 C LIG 1 -5.067 -1.974 -0.225 0.00 0.00 +0.134 A ATOM 34 N LIG 1 -4.532 -0.993 0.544 0.00 0.00 -0.260 NA ATOM 35 C LIG 1 -3.553 -0.276 -0.047 0.00 0.00 +0.134 A BRANCH 32 36 ATOM 36 C LIG 1 -5.282 -3.344 -2.390 0.00 0.00 +0.039 C ATOM 37 C LIG 1 -5.750 -4.654 -1.801 0.00 0.00 +0.010 C ATOM 38 C LIG 1 -6.755 -3.672 -2.334 0.00 0.00 +0.010 C ENDBRANCH 32 36 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 7