REMARK Name = BDB014017 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.728 0.070 0.256 0.00 0.00 +0.160 C ATOM 2 C LIG 1 2.624 0.624 -0.642 0.00 0.00 +0.240 C ATOM 3 O LIG 1 2.673 1.819 -0.971 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 1.589 -0.218 -1.050 0.00 0.00 -0.265 N ATOM 5 C LIG 1 1.597 -1.660 -0.938 0.00 0.00 +0.040 A ATOM 6 C LIG 1 2.123 -2.392 0.149 0.00 0.00 -0.026 A ATOM 7 C LIG 1 2.059 -3.811 0.119 0.00 0.00 +0.005 A ATOM 8 C LIG 1 1.497 -4.510 -0.942 0.00 0.00 +0.000 A ATOM 9 C LIG 1 0.974 -3.802 -2.005 0.00 0.00 +0.002 A ATOM 10 C LIG 1 2.705 -1.859 1.438 0.00 0.00 +0.039 C ATOM 11 C LIG 1 1.024 -2.406 -1.997 0.00 0.00 +0.024 A ATOM 12 C LIG 1 3.055 -0.391 1.535 0.00 0.00 +0.036 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 5.937 0.916 1.008 0.00 0.00 +0.230 C ATOM 14 N LIG 1 4.676 1.153 0.519 0.00 0.00 -0.303 N ATOM 15 H LIG 1 4.425 2.061 0.137 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 6.291 -0.204 1.379 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 6.842 2.168 1.152 0.00 0.00 +0.137 C ATOM 18 C LIG 1 6.964 2.938 -0.159 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 8.786 2.640 2.537 0.00 0.00 +0.101 C ATOM 20 N LIG 1 8.194 1.730 1.569 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 8.101 0.799 1.991 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 4 22 ATOM 22 C LIG 1 0.533 0.434 -1.860 0.00 0.00 +0.149 C BRANCH 22 23 ATOM 23 C LIG 1 -0.898 0.101 -1.449 0.00 0.00 -0.022 A ATOM 24 C LIG 1 -1.951 -0.094 -2.392 0.00 0.00 -0.013 A ATOM 25 C LIG 1 -3.265 -0.406 -1.924 0.00 0.00 -0.013 A ATOM 26 C LIG 1 -4.271 -0.655 -2.891 0.00 0.00 +0.009 A ATOM 27 C LIG 1 -4.032 -0.568 -4.262 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -2.772 -0.227 -4.713 0.00 0.00 +0.001 A ATOM 29 C LIG 1 -3.521 -0.456 -0.521 0.00 0.00 -0.026 A ATOM 30 C LIG 1 -2.462 -0.251 0.376 0.00 0.00 +0.006 A ATOM 31 C LIG 1 -1.751 0.006 -3.792 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -1.184 0.042 -0.076 0.00 0.00 +0.006 A BRANCH 29 33 ATOM 33 C LIG 1 -4.896 -0.795 0.050 0.00 0.00 +0.120 C BRANCH 33 34 ATOM 34 N LIG 1 -5.192 -0.178 1.360 0.00 0.00 -0.298 NA ATOM 35 C LIG 1 -6.292 -0.889 2.027 0.00 0.00 +0.085 C ATOM 36 C LIG 1 -6.847 -0.094 3.206 0.00 0.00 +0.015 C ATOM 37 C LIG 1 -7.439 1.239 2.752 0.00 0.00 +0.002 C ATOM 38 C LIG 1 -6.853 1.712 1.423 0.00 0.00 +0.015 C ATOM 39 C LIG 1 -5.397 1.278 1.267 0.00 0.00 +0.085 C ENDBRANCH 33 34 ENDBRANCH 29 33 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 7