REMARK Name = BDB030563 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.169 -2.041 1.071 0.00 0.00 +0.163 A ATOM 2 C LIG 1 0.066 -1.741 0.278 0.00 0.00 +0.203 A ATOM 3 F LIG 1 -0.240 -2.462 -0.815 0.00 0.00 -0.198 F ATOM 4 C LIG 1 -0.745 -0.670 0.644 0.00 0.00 +0.159 A ATOM 5 N LIG 1 -0.502 0.045 1.755 0.00 0.00 -0.218 NA ATOM 6 C LIG 1 0.561 -0.329 2.479 0.00 0.00 +0.225 A ATOM 7 N LIG 1 1.404 -1.331 2.198 0.00 0.00 -0.218 NA ENDROOT BRANCH 4 8 ATOM 8 N LIG 1 -1.891 -0.390 -0.141 0.00 0.00 -0.326 N ATOM 9 H LIG 1 -1.603 -0.411 -1.122 0.00 0.00 +0.148 HD BRANCH 8 10 ATOM 10 C LIG 1 -2.577 0.858 0.204 0.00 0.00 +0.109 C BRANCH 10 11 ATOM 11 C LIG 1 -3.885 0.966 -0.604 0.00 0.00 +0.037 C ATOM 12 C LIG 1 -4.855 -0.164 -0.205 0.00 0.00 +0.133 C ATOM 13 C LIG 1 -6.294 0.205 -0.592 0.00 0.00 +0.116 C ATOM 14 N LIG 1 -6.804 1.432 0.054 0.00 0.00 -0.292 NA ATOM 15 C LIG 1 -5.723 2.311 0.540 0.00 0.00 +0.085 C ATOM 16 C LIG 1 -4.538 2.350 -0.427 0.00 0.00 +0.023 C BRANCH 12 17 ATOM 17 O LIG 1 -4.475 -1.378 -0.853 0.00 0.00 -0.390 OA ATOM 18 H LIG 1 -3.553 -1.547 -0.566 0.00 0.00 +0.210 HD ENDBRANCH 12 17 BRANCH 14 19 ATOM 19 C LIG 1 -7.737 1.090 1.160 0.00 0.00 +0.180 C BRANCH 19 20 ATOM 20 C LIG 1 -8.518 2.326 1.613 0.00 0.00 +0.225 C ATOM 21 O LIG 1 -8.705 2.626 2.786 0.00 0.00 -0.275 OA ATOM 22 N LIG 1 -9.044 3.069 0.591 0.00 0.00 -0.328 N ATOM 23 H LIG 1 -8.608 2.967 -0.320 0.00 0.00 +0.145 HD ATOM 24 H LIG 1 -9.452 3.960 0.834 0.00 0.00 +0.145 HD ENDBRANCH 19 20 ENDBRANCH 14 19 ENDBRANCH 10 11 ENDBRANCH 8 10 ENDBRANCH 4 8 BRANCH 1 25 ATOM 25 N LIG 1 2.042 -3.113 0.758 0.00 0.00 -0.305 N BRANCH 25 26 ATOM 26 C LIG 1 2.949 -3.581 1.828 0.00 0.00 +0.075 C ATOM 27 C LIG 1 3.385 -5.019 1.911 0.00 0.00 +0.024 C ATOM 28 C LIG 1 2.431 -4.470 2.927 0.00 0.00 +0.024 C ENDBRANCH 25 26 BRANCH 25 29 ATOM 29 C LIG 1 2.583 -3.128 -0.612 0.00 0.00 +0.145 C BRANCH 29 34 ATOM 30 C LIG 1 5.440 0.056 -1.374 0.00 0.00 -0.012 A ATOM 31 C LIG 1 4.100 0.186 -1.757 0.00 0.00 +0.047 A ATOM 32 C LIG 1 3.195 -0.845 -1.509 0.00 0.00 +0.129 A ATOM 33 F LIG 1 1.924 -0.684 -1.906 0.00 0.00 -0.205 F ATOM 34 C LIG 1 3.585 -2.028 -0.879 0.00 0.00 +0.005 A ATOM 35 C LIG 1 4.927 -2.162 -0.502 0.00 0.00 +0.008 A ATOM 36 C LIG 1 5.843 -1.131 -0.746 0.00 0.00 +0.009 A BRANCH 30 41 ATOM 37 C LIG 1 7.489 4.511 -2.188 0.00 0.00 +0.172 C ATOM 38 N LIG 1 7.290 3.097 -1.980 0.00 0.00 -0.274 N ATOM 39 N LIG 1 8.353 2.275 -1.968 0.00 0.00 -0.179 NA ATOM 40 C LIG 1 7.814 1.073 -1.750 0.00 0.00 +0.142 A ATOM 41 C LIG 1 6.404 1.116 -1.623 0.00 0.00 +0.020 A ATOM 42 C LIG 1 6.103 2.454 -1.779 0.00 0.00 +0.116 A ENDBRANCH 30 41 ENDBRANCH 29 34 ENDBRANCH 25 29 ENDBRANCH 1 25 TORSDOF 11