REMARK Name = BDB049780 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.081 -1.070 -1.399 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -1.285 -1.252 -1.636 0.00 0.00 +0.049 A ATOM 3 C LIG 1 -2.132 -0.164 -1.902 0.00 0.00 -0.038 A ATOM 4 C LIG 1 -1.575 1.121 -1.958 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -0.214 1.309 -1.723 0.00 0.00 +0.004 A ATOM 6 C LIG 1 0.612 0.218 -1.439 0.00 0.00 +0.045 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 0.765 -2.223 -1.130 0.00 0.00 -0.492 OA BRANCH 7 8 ATOM 8 C LIG 1 2.184 -2.152 -0.972 0.00 0.00 +0.235 C BRANCH 8 9 ATOM 9 C LIG 1 2.555 -1.853 0.479 0.00 0.00 +0.100 C BRANCH 9 12 ATOM 10 C LIG 1 4.697 -3.961 1.998 0.00 0.00 +0.088 C ATOM 11 C LIG 1 4.870 -2.674 1.304 0.00 0.00 +0.126 A ATOM 12 C LIG 1 4.024 -1.787 0.674 0.00 0.00 +0.086 A ATOM 13 N LIG 1 4.750 -0.723 0.189 0.00 0.00 -0.214 NA ATOM 14 C LIG 1 5.996 -0.992 0.537 0.00 0.00 +0.228 A ATOM 15 O LIG 1 6.138 -2.173 1.220 0.00 0.00 -0.440 OA BRANCH 14 16 ATOM 16 C LIG 1 7.210 -0.218 0.293 0.00 0.00 +0.037 A ATOM 17 C LIG 1 7.128 1.000 -0.399 0.00 0.00 +0.013 A ATOM 18 C LIG 1 8.273 1.762 -0.648 0.00 0.00 +0.001 A ATOM 19 C LIG 1 9.516 1.315 -0.206 0.00 0.00 +0.000 A ATOM 20 C LIG 1 9.616 0.108 0.482 0.00 0.00 +0.001 A ATOM 21 C LIG 1 8.470 -0.653 0.731 0.00 0.00 +0.013 A ENDBRANCH 14 16 ENDBRANCH 9 12 ENDBRANCH 8 9 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 3 22 ATOM 22 C LIG 1 -3.604 -0.392 -2.151 0.00 0.00 +0.094 C BRANCH 22 23 ATOM 23 C LIG 1 -4.358 0.289 -1.057 0.00 0.00 +0.091 A ATOM 24 C LIG 1 -4.322 0.117 0.353 0.00 0.00 +0.097 A ATOM 25 N LIG 1 -5.198 0.957 0.923 0.00 0.00 -0.151 NA ATOM 26 N LIG 1 -5.749 1.591 -0.144 0.00 0.00 -0.150 N ATOM 27 N LIG 1 -5.268 1.227 -1.360 0.00 0.00 -0.152 NA BRANCH 26 28 ATOM 28 C LIG 1 -6.756 2.580 0.004 0.00 0.00 +0.086 A ATOM 29 C LIG 1 -7.295 3.210 -1.128 0.00 0.00 +0.029 A ATOM 30 C LIG 1 -8.286 4.183 -0.978 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -8.741 4.528 0.294 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -8.208 3.904 1.422 0.00 0.00 +0.002 A ATOM 33 C LIG 1 -7.217 2.930 1.281 0.00 0.00 +0.029 A ENDBRANCH 26 28 BRANCH 24 34 ATOM 34 C LIG 1 -3.467 -0.754 1.205 0.00 0.00 +0.179 C BRANCH 34 35 ATOM 35 C LIG 1 -3.655 -2.221 0.931 0.00 0.00 +0.311 C ATOM 36 O LIG 1 -4.288 -2.750 0.032 0.00 0.00 -0.251 OA BRANCH 35 37 ATOM 37 O LIG 1 -2.983 -2.991 1.817 0.00 0.00 -0.480 OA ATOM 38 H LIG 1 -3.180 -3.909 1.534 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 24 34 ENDBRANCH 22 23 ENDBRANCH 3 22 TORSDOF 11