REMARK Name = BDB005360 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.595 -0.050 0.811 0.00 0.00 +0.147 A ATOM 2 N LIG 1 0.653 -0.573 -0.081 0.00 0.00 -0.322 N ATOM 3 C LIG 1 -0.553 -0.344 0.504 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -1.987 -0.539 0.216 0.00 0.00 +0.161 C ATOM 5 N LIG 1 -2.563 -0.017 1.498 0.00 0.00 -0.250 N ATOM 6 C LIG 1 -1.563 0.453 2.399 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -1.682 0.921 3.519 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 -0.316 0.218 1.713 0.00 0.00 +0.150 A ATOM 9 N LIG 1 1.008 0.376 1.931 0.00 0.00 -0.222 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.967 -0.034 1.775 0.00 0.00 +0.074 A ATOM 11 C LIG 1 -4.865 -0.834 1.046 0.00 0.00 +0.163 A ATOM 12 F LIG 1 -4.413 -1.680 0.106 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -6.239 -0.820 1.312 0.00 0.00 +0.078 A ATOM 14 CL LIG 1 -7.313 -1.816 0.404 0.00 0.00 -0.081 Cl ATOM 15 C LIG 1 -6.752 -0.009 2.319 0.00 0.00 +0.023 A ATOM 16 C LIG 1 -5.884 0.783 3.062 0.00 0.00 +0.003 A ATOM 17 C LIG 1 -4.509 0.768 2.793 0.00 0.00 +0.026 A ENDBRANCH 5 10 BRANCH 4 18 ATOM 18 C LIG 1 -2.429 0.238 -1.014 0.00 0.00 -0.021 A ATOM 19 C LIG 1 -2.879 -0.453 -2.153 0.00 0.00 +0.007 A ATOM 20 C LIG 1 -3.270 0.240 -3.302 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -3.211 1.631 -3.326 0.00 0.00 +0.041 A ATOM 22 CL LIG 1 -3.688 2.482 -4.743 0.00 0.00 -0.084 Cl ATOM 23 C LIG 1 -2.766 2.335 -2.211 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -2.377 1.643 -1.061 0.00 0.00 +0.007 A ENDBRANCH 4 18 BRANCH 1 26 ATOM 25 C LIG 1 3.658 0.900 -0.249 0.00 0.00 +0.225 A ATOM 26 C LIG 1 3.039 -0.005 0.611 0.00 0.00 +0.079 A ATOM 27 C LIG 1 3.864 -0.854 1.360 0.00 0.00 +0.023 A ATOM 28 C LIG 1 5.253 -0.814 1.198 0.00 0.00 -0.015 A ATOM 29 C LIG 1 5.759 0.097 0.275 0.00 0.00 +0.119 A ATOM 30 N LIG 1 4.997 0.944 -0.451 0.00 0.00 -0.220 NA BRANCH 25 32 ATOM 31 C LIG 1 3.587 2.791 -1.635 0.00 0.00 +0.279 C ATOM 32 O LIG 1 2.854 1.789 -0.939 0.00 0.00 -0.479 OA ENDBRANCH 25 32 BRANCH 28 33 ATOM 33 C LIG 1 6.164 -1.722 1.980 0.00 0.00 +0.155 C BRANCH 33 34 ATOM 34 C LIG 1 7.067 -0.998 2.886 0.00 0.00 +0.067 C ATOM 35 N LIG 1 7.803 -0.440 3.591 0.00 0.00 -0.196 NA ENDBRANCH 33 34 ENDBRANCH 28 33 ENDBRANCH 1 26 BRANCH 2 36 ATOM 36 C LIG 1 0.839 -1.302 -1.330 0.00 0.00 +0.083 C ATOM 37 C LIG 1 1.834 -2.459 -1.232 0.00 0.00 +0.030 C ATOM 38 C LIG 1 1.139 -0.398 -2.522 0.00 0.00 +0.030 C ENDBRANCH 2 36 TORSDOF 7