REMARK Name = BDB015187 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.037 -0.631 -0.412 0.00 0.00 +0.023 A ATOM 2 C LIG 1 -0.306 -0.517 -0.825 0.00 0.00 +0.057 A ATOM 3 C LIG 1 -1.018 -1.626 -1.290 0.00 0.00 +0.121 A ATOM 4 C LIG 1 -0.394 -2.865 -1.401 0.00 0.00 +0.046 A ATOM 5 C LIG 1 0.932 -3.008 -1.005 0.00 0.00 +0.004 A ATOM 6 C LIG 1 1.635 -1.904 -0.513 0.00 0.00 +0.012 A ENDROOT BRANCH 1 12 ATOM 7 N LIG 1 4.981 1.508 1.348 0.00 0.00 -0.323 N ATOM 8 C LIG 1 3.682 1.431 0.912 0.00 0.00 +0.145 A ATOM 9 C LIG 1 3.138 2.705 0.966 0.00 0.00 +0.037 A ATOM 10 C LIG 1 1.819 2.825 0.544 0.00 0.00 +0.124 A ATOM 11 N LIG 1 1.152 1.732 0.107 0.00 0.00 -0.235 NA ATOM 12 C LIG 1 1.794 0.538 0.093 0.00 0.00 +0.162 A ATOM 13 C LIG 1 4.140 3.568 1.477 0.00 0.00 +0.031 A ATOM 14 N LIG 1 3.058 0.316 0.506 0.00 0.00 -0.210 NA ATOM 15 C LIG 1 5.260 2.800 1.726 0.00 0.00 +0.089 A BRANCH 7 16 ATOM 16 C LIG 1 5.885 0.376 1.460 0.00 0.00 +0.219 C BRANCH 16 18 ATOM 17 O LIG 1 5.931 -0.613 -0.721 0.00 0.00 -0.274 OA ATOM 18 C LIG 1 6.544 0.030 0.134 0.00 0.00 +0.236 C ATOM 19 N LIG 1 7.855 0.432 -0.084 0.00 0.00 -0.296 N ATOM 20 C LIG 1 8.688 1.194 0.850 0.00 0.00 +0.136 C ATOM 21 C LIG 1 9.889 1.833 0.144 0.00 0.00 +0.179 C ATOM 22 O LIG 1 10.725 0.877 -0.518 0.00 0.00 -0.377 OA ATOM 23 C LIG 1 10.011 -0.229 -1.092 0.00 0.00 +0.179 C ATOM 24 C LIG 1 8.522 0.042 -1.332 0.00 0.00 +0.136 C ENDBRANCH 16 18 ENDBRANCH 7 16 ENDBRANCH 1 12 BRANCH 3 25 ATOM 25 O LIG 1 -2.307 -1.540 -1.737 0.00 0.00 -0.489 OA BRANCH 25 26 ATOM 26 C LIG 1 -3.231 -1.014 -0.764 0.00 0.00 +0.261 C BRANCH 26 27 ATOM 27 C LIG 1 -3.999 -2.192 -0.149 0.00 0.00 +0.166 C BRANCH 27 28 ATOM 28 O LIG 1 -4.686 -2.932 -1.170 0.00 0.00 -0.387 OA ATOM 29 H LIG 1 -4.058 -2.990 -1.916 0.00 0.00 +0.210 HD ENDBRANCH 27 28 BRANCH 27 30 ATOM 30 C LIG 1 -4.978 -1.760 0.965 0.00 0.00 +0.119 C BRANCH 30 31 ATOM 31 N LIG 1 -5.883 -0.632 0.649 0.00 0.00 -0.295 NA ATOM 32 C LIG 1 -6.835 -0.997 -0.425 0.00 0.00 +0.120 C ATOM 33 C LIG 1 -7.954 0.008 -0.632 0.00 0.00 -0.030 A ATOM 34 C LIG 1 -8.272 0.958 0.353 0.00 0.00 -0.042 A ATOM 35 C LIG 1 -9.327 1.856 0.142 0.00 0.00 +0.004 A ATOM 36 C LIG 1 -10.080 1.796 -1.030 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -9.781 0.843 -2.001 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -7.438 1.043 1.603 0.00 0.00 +0.051 C ATOM 39 C LIG 1 -8.726 -0.048 -1.803 0.00 0.00 +0.005 A ATOM 40 C LIG 1 -6.634 -0.238 1.854 0.00 0.00 +0.089 C ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 3 25 TORSDOF 9