REMARK Name = BDB029610 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.263 -0.097 -0.525 0.00 0.00 +0.028 A ATOM 2 C LIG 1 -2.011 -0.529 -0.068 0.00 0.00 +0.036 A ATOM 3 C LIG 1 -1.092 -1.242 -0.877 0.00 0.00 +0.042 A ATOM 4 C LIG 1 0.216 -1.590 -0.214 0.00 0.00 +0.247 C ATOM 5 N LIG 1 1.215 -2.380 -0.811 0.00 0.00 -0.292 N ATOM 6 C LIG 1 1.278 -2.889 -2.204 0.00 0.00 +0.078 C ATOM 7 C LIG 1 0.952 -1.859 -3.298 0.00 0.00 +0.030 C ATOM 8 C LIG 1 -0.512 -2.352 -3.192 0.00 0.00 +0.023 C ATOM 9 C LIG 1 0.054 -3.695 -2.668 0.00 0.00 +0.030 C ATOM 10 O LIG 1 0.394 -1.150 0.928 0.00 0.00 -0.270 OA ATOM 11 C LIG 1 -1.445 -1.568 -2.201 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.728 -1.162 -2.634 0.00 0.00 +0.006 A ATOM 13 C LIG 1 -3.618 -0.458 -1.817 0.00 0.00 +0.023 A ENDROOT BRANCH 1 14 ATOM 14 N LIG 1 -4.116 0.545 0.378 0.00 0.00 -0.341 N ATOM 15 H LIG 1 -3.581 1.031 1.097 0.00 0.00 +0.146 HD BRANCH 14 21 ATOM 16 C LIG 1 -10.018 0.959 2.245 0.00 0.00 +0.109 C ATOM 17 C LIG 1 -9.159 2.103 1.768 0.00 0.00 +0.212 C ATOM 18 N LIG 1 -7.919 1.784 1.232 0.00 0.00 -0.302 N ATOM 19 C LIG 1 -7.431 0.419 1.024 0.00 0.00 +0.109 C ATOM 20 C LIG 1 -6.508 0.332 -0.185 0.00 0.00 +0.041 C ATOM 21 C LIG 1 -5.303 1.282 -0.075 0.00 0.00 +0.073 C ATOM 22 C LIG 1 -5.569 2.446 0.894 0.00 0.00 +0.041 C ATOM 23 C LIG 1 -7.028 2.876 0.851 0.00 0.00 +0.109 C ATOM 24 O LIG 1 -9.564 3.262 1.855 0.00 0.00 -0.276 OA ENDBRANCH 14 21 ENDBRANCH 1 14 BRANCH 5 25 ATOM 25 C LIG 1 2.445 -2.564 -0.015 0.00 0.00 +0.141 C BRANCH 25 26 ATOM 26 C LIG 1 3.444 -1.399 -0.203 0.00 0.00 +0.146 C BRANCH 26 27 ATOM 27 O LIG 1 4.010 -1.490 -1.526 0.00 0.00 -0.389 OA ATOM 28 H LIG 1 4.576 -2.279 -1.554 0.00 0.00 +0.210 HD ENDBRANCH 26 27 BRANCH 26 29 ATOM 29 C LIG 1 4.563 -1.475 0.868 0.00 0.00 +0.117 C BRANCH 29 30 ATOM 30 N LIG 1 5.397 -0.272 1.031 0.00 0.00 -0.295 NA ATOM 31 C LIG 1 5.982 0.250 -0.207 0.00 0.00 +0.120 C ATOM 32 C LIG 1 6.871 1.449 0.043 0.00 0.00 -0.030 A ATOM 33 C LIG 1 7.765 1.400 1.123 0.00 0.00 -0.042 A ATOM 34 C LIG 1 8.646 2.460 1.355 0.00 0.00 +0.004 A ATOM 35 C LIG 1 8.624 3.576 0.519 0.00 0.00 +0.000 A ATOM 36 C LIG 1 7.733 3.631 -0.554 0.00 0.00 +0.000 A ATOM 37 C LIG 1 7.767 0.153 1.959 0.00 0.00 +0.051 C ATOM 38 C LIG 1 6.862 2.567 -0.796 0.00 0.00 +0.005 A ATOM 39 C LIG 1 6.350 -0.421 2.147 0.00 0.00 +0.089 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 25 26 ENDBRANCH 5 25 TORSDOF 7