REMARK Name = BDB046474 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -4.444 1.418 -0.478 0.00 0.00 -0.209 N ATOM 2 C LIG 1 -4.062 2.368 0.463 0.00 0.00 +0.348 A ATOM 3 O LIG 1 -4.709 2.791 1.409 0.00 0.00 -0.245 OA ATOM 4 N LIG 1 -2.790 2.738 0.104 0.00 0.00 -0.268 N ATOM 5 C LIG 1 -2.498 2.032 -1.003 0.00 0.00 +0.135 A ATOM 6 N LIG 1 -3.433 1.212 -1.390 0.00 0.00 -0.153 NA ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 -5.660 0.644 -0.455 0.00 0.00 +0.184 C BRANCH 7 12 ATOM 8 C LIG 1 -5.012 -4.205 2.709 0.00 0.00 +0.044 C ATOM 9 C LIG 1 -5.208 -2.966 1.887 0.00 0.00 -0.050 A ATOM 10 C LIG 1 -5.737 -1.808 2.466 0.00 0.00 +0.004 A ATOM 11 C LIG 1 -5.889 -0.643 1.710 0.00 0.00 +0.006 A ATOM 12 C LIG 1 -5.513 -0.617 0.361 0.00 0.00 -0.026 A ATOM 13 C LIG 1 -4.955 -1.769 -0.208 0.00 0.00 +0.006 A ATOM 14 C LIG 1 -4.803 -2.932 0.548 0.00 0.00 +0.004 A ENDBRANCH 7 12 ENDBRANCH 1 7 BRANCH 4 15 ATOM 15 C LIG 1 -2.027 3.748 0.810 0.00 0.00 +0.248 C BRANCH 15 16 ATOM 16 C LIG 1 -2.288 5.151 0.290 0.00 0.00 +0.325 C ATOM 17 O LIG 1 -1.811 6.172 0.764 0.00 0.00 -0.249 OA BRANCH 16 18 ATOM 18 O LIG 1 -3.068 5.223 -0.806 0.00 0.00 -0.479 OA ATOM 19 H LIG 1 -3.150 6.184 -0.985 0.00 0.00 +0.295 HD ENDBRANCH 16 18 ENDBRANCH 15 16 ENDBRANCH 4 15 BRANCH 5 20 ATOM 20 C LIG 1 -1.184 2.146 -1.718 0.00 0.00 +0.077 C BRANCH 20 21 ATOM 21 C LIG 1 -0.148 1.222 -1.084 0.00 0.00 +0.012 C BRANCH 21 22 ATOM 22 C LIG 1 1.181 1.286 -1.839 0.00 0.00 +0.035 C BRANCH 22 23 ATOM 23 C LIG 1 2.233 0.419 -1.193 0.00 0.00 -0.047 A ATOM 24 C LIG 1 2.277 -0.957 -1.452 0.00 0.00 +0.007 A ATOM 25 C LIG 1 3.240 -1.760 -0.839 0.00 0.00 +0.046 A ATOM 26 C LIG 1 4.182 -1.191 0.015 0.00 0.00 +0.122 A ATOM 27 C LIG 1 4.116 0.165 0.320 0.00 0.00 +0.046 A ATOM 28 C LIG 1 3.152 0.970 -0.291 0.00 0.00 +0.007 A BRANCH 26 29 ATOM 29 O LIG 1 5.091 -2.008 0.627 0.00 0.00 -0.475 OA BRANCH 29 30 ATOM 30 C LIG 1 6.404 -2.041 0.032 0.00 0.00 +0.200 C ATOM 31 C LIG 1 7.119 -3.196 0.757 0.00 0.00 +0.067 C ATOM 32 C LIG 1 6.360 -2.380 -1.468 0.00 0.00 +0.067 C BRANCH 30 33 ATOM 33 C LIG 1 7.260 -0.789 0.318 0.00 0.00 +0.348 C ATOM 34 O LIG 1 7.148 -0.018 1.259 0.00 0.00 -0.247 OA BRANCH 33 35 ATOM 35 O LIG 1 8.271 -0.603 -0.557 0.00 0.00 -0.478 OA ATOM 36 H LIG 1 8.721 0.201 -0.223 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 30 33 ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 5 20 TORSDOF 13