REMARK Name = BDB017572 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.010 -0.814 -1.994 0.00 0.00 +0.119 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.251 -0.599 -1.153 0.00 0.00 -0.031 A ATOM 3 C LIG 1 -3.359 0.069 -1.673 0.00 0.00 +0.031 A ATOM 4 C LIG 1 -4.506 0.249 -0.893 0.00 0.00 +0.051 A ATOM 5 C LIG 1 -4.613 -0.265 0.417 0.00 0.00 +0.023 A ATOM 6 C LIG 1 -5.933 -0.092 1.099 0.00 0.00 +0.045 A ATOM 7 N LIG 1 -6.219 -0.824 2.252 0.00 0.00 -0.343 N ATOM 8 H LIG 1 -5.783 -1.742 2.226 0.00 0.00 +0.146 HD ATOM 9 C LIG 1 -7.571 -0.881 2.797 0.00 0.00 +0.102 C ATOM 10 C LIG 1 -8.223 0.489 2.682 0.00 0.00 +0.023 C ATOM 11 C LIG 1 -8.196 0.969 1.230 0.00 0.00 +0.044 C ATOM 12 C LIG 1 -6.868 0.721 0.564 0.00 0.00 +0.038 A ATOM 13 C LIG 1 -6.671 1.357 -0.762 0.00 0.00 +0.254 A ATOM 14 O LIG 1 -7.504 2.115 -1.250 0.00 0.00 -0.268 OA ATOM 15 C LIG 1 -3.458 -0.870 0.973 0.00 0.00 -0.039 A ATOM 16 C LIG 1 -3.346 -1.323 2.406 0.00 0.00 +0.044 C ATOM 17 N LIG 1 -5.540 1.016 -1.439 0.00 0.00 -0.322 N ATOM 18 H LIG 1 -5.433 1.440 -2.350 0.00 0.00 +0.169 HD ATOM 19 C LIG 1 -2.310 -1.056 0.168 0.00 0.00 +0.009 A ENDBRANCH 1 2 BRANCH 1 23 ATOM 20 N LIG 1 2.414 0.552 -1.844 0.00 0.00 -0.327 N ATOM 21 C LIG 1 1.373 0.880 -0.849 0.00 0.00 +0.120 C ATOM 22 C LIG 1 0.071 1.351 -1.538 0.00 0.00 +0.103 C ATOM 23 N LIG 1 -0.471 0.431 -2.565 0.00 0.00 -0.295 NA ATOM 24 C LIG 1 0.614 0.144 -3.532 0.00 0.00 +0.103 C ATOM 25 C LIG 1 1.945 -0.355 -2.918 0.00 0.00 +0.120 C BRANCH 20 29 ATOM 26 C LIG 1 6.390 -0.175 -0.537 0.00 0.00 +0.037 A ATOM 27 C LIG 1 5.347 -0.150 0.390 0.00 0.00 +0.015 A ATOM 28 C LIG 1 4.032 0.092 -0.034 0.00 0.00 +0.024 A ATOM 29 C LIG 1 3.716 0.296 -1.387 0.00 0.00 +0.030 A ATOM 30 C LIG 1 4.788 0.270 -2.297 0.00 0.00 +0.024 A ATOM 31 C LIG 1 6.104 0.028 -1.887 0.00 0.00 +0.015 A BRANCH 26 34 ATOM 32 N LIG 1 8.150 -0.036 1.142 0.00 0.00 -0.312 N ATOM 33 H LIG 1 7.552 0.641 1.596 0.00 0.00 +0.149 HD ATOM 34 C LIG 1 7.801 -0.429 -0.136 0.00 0.00 +0.244 C ATOM 35 O LIG 1 8.588 -0.929 -0.931 0.00 0.00 -0.270 OA BRANCH 32 37 ATOM 36 C LIG 1 9.654 0.028 3.074 0.00 0.00 +0.024 C ATOM 37 C LIG 1 9.534 -0.092 1.567 0.00 0.00 +0.101 C ENDBRANCH 32 37 ENDBRANCH 26 34 ENDBRANCH 20 29 ENDBRANCH 1 23 TORSDOF 5