REMARK Name = BDB042189 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.771 -1.746 1.222 0.00 0.00 +0.247 C ATOM 2 N LIG 1 -0.552 -1.450 0.919 0.00 0.00 -0.295 N ATOM 3 C LIG 1 -1.575 -2.436 1.267 0.00 0.00 +0.123 C ATOM 4 C LIG 1 -2.974 -1.799 1.313 0.00 0.00 +0.104 C ATOM 5 N LIG 1 -3.416 -1.200 0.025 0.00 0.00 -0.289 NA ATOM 6 C LIG 1 -2.249 -0.732 -0.765 0.00 0.00 +0.104 C ATOM 7 C LIG 1 -0.993 -0.357 0.048 0.00 0.00 +0.123 C ATOM 8 O LIG 1 1.131 -2.814 1.710 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 15 ATOM 9 N LIG 1 5.809 1.018 -0.593 0.00 0.00 -0.282 N ATOM 10 C LIG 1 4.974 1.887 0.092 0.00 0.00 +0.248 C ATOM 11 O LIG 1 5.153 3.063 0.340 0.00 0.00 -0.270 OA ATOM 12 C LIG 1 3.790 1.117 0.485 0.00 0.00 +0.042 A ATOM 13 C LIG 1 3.926 -0.176 -0.021 0.00 0.00 -0.017 A ATOM 14 C LIG 1 2.942 -1.121 0.208 0.00 0.00 +0.019 A ATOM 15 C LIG 1 1.815 -0.731 0.949 0.00 0.00 +0.037 A ATOM 16 C LIG 1 1.702 0.574 1.477 0.00 0.00 +0.014 A ATOM 17 C LIG 1 2.700 1.520 1.235 0.00 0.00 +0.014 A ATOM 18 C LIG 1 5.205 -0.297 -0.782 0.00 0.00 +0.144 C BRANCH 9 25 ATOM 19 O LIG 1 9.943 -1.304 -0.120 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 9.183 -0.401 -0.457 0.00 0.00 +0.219 C ATOM 21 N LIG 1 8.715 -0.321 -1.743 0.00 0.00 -0.255 N ATOM 22 H LIG 1 9.036 -1.050 -2.365 0.00 0.00 +0.158 HD ATOM 23 C LIG 1 7.643 0.413 -2.193 0.00 0.00 +0.240 C ATOM 24 O LIG 1 7.114 0.136 -3.268 0.00 0.00 -0.273 OA ATOM 25 C LIG 1 7.059 1.450 -1.222 0.00 0.00 +0.163 C ATOM 26 C LIG 1 8.123 1.846 -0.193 0.00 0.00 +0.041 C ATOM 27 C LIG 1 8.653 0.615 0.525 0.00 0.00 +0.098 C ENDBRANCH 9 25 ENDBRANCH 1 15 BRANCH 5 28 ATOM 28 C LIG 1 -4.442 -0.140 0.228 0.00 0.00 +0.118 C BRANCH 28 29 ATOM 29 C LIG 1 -5.008 0.419 -1.084 0.00 0.00 -0.020 A ATOM 30 C LIG 1 -5.303 -0.410 -2.181 0.00 0.00 +0.044 A ATOM 31 C LIG 1 -5.839 0.129 -3.349 0.00 0.00 +0.126 A ATOM 32 F LIG 1 -6.104 -0.679 -4.383 0.00 0.00 -0.205 F ATOM 33 C LIG 1 -6.099 1.486 -3.459 0.00 0.00 +0.076 A ATOM 34 C LIG 1 -5.818 2.308 -2.378 0.00 0.00 +0.126 A ATOM 35 F LIG 1 -6.066 3.621 -2.466 0.00 0.00 -0.205 F ATOM 36 C LIG 1 -5.282 1.793 -1.198 0.00 0.00 +0.044 A ENDBRANCH 28 29 BRANCH 28 37 ATOM 37 C LIG 1 -5.609 -0.580 1.119 0.00 0.00 -0.020 A ATOM 38 C LIG 1 -6.003 0.216 2.208 0.00 0.00 +0.044 A ATOM 39 C LIG 1 -7.076 -0.170 3.010 0.00 0.00 +0.126 A ATOM 40 F LIG 1 -7.431 0.605 4.044 0.00 0.00 -0.205 F ATOM 41 C LIG 1 -7.780 -1.337 2.758 0.00 0.00 +0.076 A ATOM 42 C LIG 1 -7.399 -2.124 1.682 0.00 0.00 +0.126 A ATOM 43 F LIG 1 -8.067 -3.256 1.425 0.00 0.00 -0.205 F ATOM 44 C LIG 1 -6.331 -1.760 0.865 0.00 0.00 +0.044 A ENDBRANCH 28 37 ENDBRANCH 5 28 TORSDOF 5