REMARK Name = BDB038391 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.980 -0.323 1.044 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.199 0.229 1.561 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.382 1.058 2.432 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.316 -0.382 0.828 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.672 -0.158 0.977 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.549 -0.868 0.146 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.026 -1.774 -0.809 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.642 -1.991 -0.947 0.00 0.00 +0.061 A ATOM 9 C LIG 1 0.799 -1.274 -0.104 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.692 -1.282 -0.015 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.740 -0.370 1.220 0.00 0.00 -0.015 A ATOM 12 C LIG 1 -3.409 -0.636 0.833 0.00 0.00 +0.032 A ATOM 13 C LIG 1 -2.307 -0.035 1.468 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -2.570 0.848 2.520 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.878 1.117 2.929 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.954 0.509 2.288 0.00 0.00 +0.008 A BRANCH 11 18 ATOM 17 C LIG 1 -6.918 -0.278 -0.103 0.00 0.00 +0.030 A ATOM 18 C LIG 1 -5.871 -1.009 0.515 0.00 0.00 -0.007 A ATOM 19 C LIG 1 -5.928 -2.420 0.471 0.00 0.00 +0.012 A ATOM 20 C LIG 1 -6.982 -3.087 -0.154 0.00 0.00 +0.039 A ATOM 21 C LIG 1 -8.001 -2.352 -0.738 0.00 0.00 +0.124 A ATOM 22 F LIG 1 -9.017 -2.990 -1.333 0.00 0.00 -0.205 F ATOM 23 C LIG 1 -7.983 -0.965 -0.713 0.00 0.00 +0.050 A BRANCH 17 26 ATOM 24 C LIG 1 -4.928 1.726 -1.508 0.00 0.00 +0.152 C ATOM 25 N LIG 1 -6.087 2.041 -0.717 0.00 0.00 -0.317 N ATOM 26 C LIG 1 -6.977 1.184 -0.118 0.00 0.00 +0.164 A ATOM 27 N LIG 1 -7.941 1.911 0.420 0.00 0.00 -0.129 NA ATOM 28 N LIG 1 -7.657 3.240 0.213 0.00 0.00 -0.138 NA ATOM 29 C LIG 1 -6.540 3.301 -0.468 0.00 0.00 +0.225 A ENDBRANCH 17 26 ENDBRANCH 11 18 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 1.088 -2.946 -1.968 0.00 0.00 +0.418 C ATOM 31 F LIG 1 2.035 -3.605 -2.687 0.00 0.00 -0.166 F ATOM 32 F LIG 1 0.290 -2.317 -2.876 0.00 0.00 -0.166 F ATOM 33 F LIG 1 0.307 -3.907 -1.400 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 5.045 -0.656 0.248 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 5.528 0.056 -0.931 0.00 0.00 -0.309 NA ATOM 36 H LIG 1 5.172 1.010 -0.905 0.00 0.00 +0.122 HD BRANCH 35 37 ATOM 37 C LIG 1 6.990 0.063 -1.066 0.00 0.00 +0.116 C BRANCH 37 38 ATOM 38 C LIG 1 7.751 0.873 0.008 0.00 0.00 +0.078 C ATOM 39 C LIG 1 7.473 2.407 0.045 0.00 0.00 +0.036 C ATOM 40 C LIG 1 8.683 2.610 -0.880 0.00 0.00 +0.006 C ATOM 41 C LIG 1 9.208 1.243 -0.412 0.00 0.00 +0.036 C BRANCH 38 42 ATOM 42 O LIG 1 7.671 0.220 1.299 0.00 0.00 -0.387 OA ATOM 43 H LIG 1 8.174 -0.606 1.198 0.00 0.00 +0.210 HD ENDBRANCH 38 42 ENDBRANCH 37 38 ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 9