REMARK Name = BDB019974 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.078 -0.474 0.003 0.00 0.00 +0.038 A ATOM 2 C LIG 1 0.144 0.877 -0.361 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -0.849 1.777 0.052 0.00 0.00 -0.015 A ATOM 4 C LIG 1 -1.918 1.296 0.826 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -2.005 -0.058 1.188 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -1.000 -0.940 0.761 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -0.784 3.191 -0.334 0.00 0.00 +0.012 A ATOM 8 C LIG 1 0.006 4.143 0.336 0.00 0.00 +0.151 A ATOM 9 N LIG 1 0.050 5.456 -0.055 0.00 0.00 -0.250 NA ATOM 10 C LIG 1 -0.697 5.834 -1.113 0.00 0.00 +0.111 A ATOM 11 C LIG 1 -1.502 4.968 -1.825 0.00 0.00 +0.020 A ATOM 12 C LIG 1 -1.544 3.636 -1.429 0.00 0.00 +0.012 A BRANCH 8 13 ATOM 13 C LIG 1 0.853 3.731 1.536 0.00 0.00 +0.435 C ATOM 14 F LIG 1 0.121 3.163 2.539 0.00 0.00 -0.164 F ATOM 15 F LIG 1 1.520 4.768 2.124 0.00 0.00 -0.164 F ATOM 16 F LIG 1 1.821 2.820 1.217 0.00 0.00 -0.164 F ENDBRANCH 8 13 ENDBRANCH 3 7 BRANCH 1 19 ATOM 17 N LIG 1 2.401 -0.939 -0.509 0.00 0.00 -0.302 N ATOM 18 H LIG 1 2.626 -0.013 -0.160 0.00 0.00 +0.150 HD ATOM 19 C LIG 1 1.126 -1.440 -0.421 0.00 0.00 +0.245 C ATOM 20 O LIG 1 0.842 -2.609 -0.649 0.00 0.00 -0.270 OA BRANCH 17 22 ATOM 21 C LIG 1 3.620 -2.003 -2.359 0.00 0.00 +0.036 C ATOM 22 C LIG 1 3.551 -1.777 -0.850 0.00 0.00 +0.138 C BRANCH 22 23 ATOM 23 C LIG 1 4.853 -1.143 -0.364 0.00 0.00 +0.149 A ATOM 24 N LIG 1 5.930 -1.945 -0.203 0.00 0.00 -0.236 NA ATOM 25 C LIG 1 7.064 -1.350 0.231 0.00 0.00 +0.152 A ATOM 26 C LIG 1 7.157 -0.007 0.500 0.00 0.00 +0.159 A ATOM 27 F LIG 1 8.295 0.551 0.926 0.00 0.00 -0.202 F ATOM 28 C LIG 1 6.016 0.730 0.303 0.00 0.00 +0.152 A ATOM 29 N LIG 1 4.852 0.195 -0.128 0.00 0.00 -0.236 NA ENDBRANCH 22 23 ENDBRANCH 17 22 ENDBRANCH 1 19 BRANCH 5 30 ATOM 30 C LIG 1 -3.170 -0.567 2.011 0.00 0.00 +0.159 C BRANCH 30 31 ATOM 31 N LIG 1 -4.086 -1.341 1.202 0.00 0.00 -0.313 N ATOM 32 C LIG 1 -4.098 -2.737 1.182 0.00 0.00 +0.204 A ATOM 33 N LIG 1 -3.380 -3.520 1.903 0.00 0.00 -0.268 NA ATOM 34 H LIG 1 -3.598 -4.488 1.666 0.00 0.00 +0.190 HD ATOM 35 N LIG 1 -5.050 -3.060 0.208 0.00 0.00 -0.320 N ATOM 36 C LIG 1 -5.312 -4.392 -0.277 0.00 0.00 +0.152 C ATOM 37 C LIG 1 -5.550 -1.892 -0.356 0.00 0.00 +0.106 A ATOM 38 C LIG 1 -4.969 -0.848 0.252 0.00 0.00 +0.107 A ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 7