REMARK Name = BDB058050 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.260 0.285 0.805 0.00 0.00 -0.021 A ATOM 2 C LIG 1 2.609 -0.872 0.093 0.00 0.00 +0.009 A ATOM 3 C LIG 1 1.729 -1.421 -0.842 0.00 0.00 +0.013 A ATOM 4 C LIG 1 0.480 -0.830 -1.048 0.00 0.00 +0.037 A ATOM 5 C LIG 1 0.122 0.326 -0.348 0.00 0.00 +0.013 A ATOM 6 C LIG 1 1.007 0.872 0.586 0.00 0.00 +0.009 A ENDROOT BRANCH 1 13 ATOM 7 C LIG 1 7.506 1.278 -0.236 0.00 0.00 +0.079 A ATOM 8 C LIG 1 6.448 1.321 0.653 0.00 0.00 +0.152 A ATOM 9 O LIG 1 5.157 0.899 0.425 0.00 0.00 -0.451 OA ATOM 10 C LIG 1 4.455 1.135 1.599 0.00 0.00 +0.176 C ATOM 11 C LIG 1 5.338 1.741 2.628 0.00 0.00 +0.231 C ATOM 12 O LIG 1 5.071 2.080 3.759 0.00 0.00 -0.283 OA ATOM 13 C LIG 1 3.157 0.877 1.804 0.00 0.00 +0.058 C ATOM 14 C LIG 1 6.621 1.829 1.942 0.00 0.00 +0.068 A ATOM 15 C LIG 1 7.830 2.309 2.408 0.00 0.00 +0.015 A ATOM 16 C LIG 1 8.909 2.270 1.526 0.00 0.00 +0.002 A ATOM 17 C LIG 1 8.749 1.759 0.221 0.00 0.00 +0.017 A BRANCH 7 21 ATOM 18 N LIG 1 6.196 0.352 -2.086 0.00 0.00 -0.325 N ATOM 19 H LIG 1 6.139 0.043 -3.048 0.00 0.00 +0.145 HD ATOM 20 H LIG 1 5.335 0.450 -1.564 0.00 0.00 +0.145 HD ATOM 21 C LIG 1 7.414 0.755 -1.624 0.00 0.00 +0.245 C ATOM 22 O LIG 1 8.403 0.691 -2.344 0.00 0.00 -0.270 OA ENDBRANCH 7 21 ENDBRANCH 1 13 BRANCH 4 23 ATOM 23 C LIG 1 -0.427 -1.409 -2.061 0.00 0.00 +0.247 C ATOM 24 N LIG 1 -1.738 -1.716 -1.696 0.00 0.00 -0.288 N ATOM 25 C LIG 1 -2.590 -2.239 -2.774 0.00 0.00 +0.184 C ATOM 26 C LIG 1 -4.020 -2.276 -2.365 0.00 0.00 +0.151 A ATOM 27 N LIG 1 -4.438 -2.026 -1.085 0.00 0.00 -0.312 N ATOM 28 C LIG 1 -5.799 -2.148 -1.081 0.00 0.00 +0.138 A ATOM 29 N LIG 1 -6.186 -2.485 -2.296 0.00 0.00 -0.134 NA ATOM 30 C LIG 1 -3.544 -1.663 -0.010 0.00 0.00 +0.144 C ATOM 31 N LIG 1 -5.072 -2.567 -3.099 0.00 0.00 -0.133 NA ATOM 32 C LIG 1 -2.118 -2.103 -0.331 0.00 0.00 +0.130 C ATOM 33 O LIG 1 0.016 -1.575 -3.195 0.00 0.00 -0.270 OA BRANCH 28 34 ATOM 34 C LIG 1 -6.685 -1.931 0.099 0.00 0.00 +0.111 C BRANCH 34 35 ATOM 35 C LIG 1 -6.709 -0.497 0.581 0.00 0.00 -0.037 A ATOM 36 C LIG 1 -6.363 -0.180 1.901 0.00 0.00 +0.042 A ATOM 37 C LIG 1 -6.393 1.145 2.330 0.00 0.00 +0.124 A ATOM 38 F LIG 1 -6.047 1.433 3.591 0.00 0.00 -0.205 F ATOM 39 C LIG 1 -6.771 2.170 1.472 0.00 0.00 +0.038 A ATOM 40 C LIG 1 -7.129 1.867 0.160 0.00 0.00 +0.003 A ATOM 41 C LIG 1 -7.099 0.542 -0.283 0.00 0.00 +0.004 A ENDBRANCH 34 35 ENDBRANCH 28 34 ENDBRANCH 4 23 TORSDOF 5