REMARK Name = BDB014014 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.077 0.089 0.288 0.00 0.00 +0.160 C ATOM 2 C LIG 1 -2.863 0.943 -0.069 0.00 0.00 +0.240 C ATOM 3 O LIG 1 -3.033 1.921 -0.816 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -1.608 0.604 0.441 0.00 0.00 -0.265 N ATOM 5 C LIG 1 -1.349 -0.378 1.479 0.00 0.00 +0.040 A ATOM 6 C LIG 1 -2.072 -1.575 1.683 0.00 0.00 -0.026 A ATOM 7 C LIG 1 -1.703 -2.434 2.756 0.00 0.00 +0.005 A ATOM 8 C LIG 1 -0.646 -2.150 3.611 0.00 0.00 +0.000 A ATOM 9 C LIG 1 0.078 -0.993 3.412 0.00 0.00 +0.002 A ATOM 10 C LIG 1 -3.200 -2.151 0.853 0.00 0.00 +0.039 C ATOM 11 C LIG 1 -0.270 -0.131 2.366 0.00 0.00 +0.024 A ATOM 12 C LIG 1 -3.809 -1.306 -0.241 0.00 0.00 +0.036 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 -6.531 0.410 0.040 0.00 0.00 +0.230 C ATOM 14 N LIG 1 -5.243 0.681 -0.372 0.00 0.00 -0.303 N ATOM 15 H LIG 1 -5.053 1.468 -0.986 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 -6.764 -0.418 0.916 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 -7.599 1.247 -0.707 0.00 0.00 +0.137 C ATOM 18 C LIG 1 -7.580 2.675 -0.161 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 -9.105 -0.591 -1.238 0.00 0.00 +0.101 C ATOM 20 N LIG 1 -8.961 0.695 -0.568 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 -9.632 1.353 -0.960 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 4 22 ATOM 22 C LIG 1 -0.510 1.505 0.015 0.00 0.00 +0.149 C BRANCH 22 23 ATOM 23 C LIG 1 0.743 0.821 -0.527 0.00 0.00 -0.022 A ATOM 24 C LIG 1 2.045 1.395 -0.380 0.00 0.00 -0.013 A ATOM 25 C LIG 1 3.179 0.731 -0.942 0.00 0.00 -0.013 A ATOM 26 C LIG 1 4.477 1.307 -0.796 0.00 0.00 -0.026 A ATOM 27 C LIG 1 4.632 2.511 -0.086 0.00 0.00 +0.005 A ATOM 28 C LIG 1 3.537 3.160 0.456 0.00 0.00 +0.001 A ATOM 29 C LIG 1 2.958 -0.482 -1.630 0.00 0.00 +0.009 A ATOM 30 C LIG 1 1.685 -1.018 -1.797 0.00 0.00 +0.001 A ATOM 31 C LIG 1 2.267 2.614 0.301 0.00 0.00 +0.009 A ATOM 32 C LIG 1 0.587 -0.365 -1.264 0.00 0.00 +0.006 A BRANCH 26 33 ATOM 33 C LIG 1 5.746 0.713 -1.400 0.00 0.00 +0.120 C BRANCH 33 34 ATOM 34 N LIG 1 6.725 0.287 -0.380 0.00 0.00 -0.296 NA ATOM 35 C LIG 1 8.056 0.106 -0.993 0.00 0.00 +0.100 C ATOM 36 C LIG 1 8.164 -1.078 -1.989 0.00 0.00 +0.096 C ATOM 37 N LIG 1 7.247 -2.201 -1.728 0.00 0.00 -0.314 NA ATOM 38 H LIG 1 7.671 -3.074 -2.045 0.00 0.00 +0.122 HD ATOM 39 C LIG 1 6.928 -2.283 -0.299 0.00 0.00 +0.096 C ATOM 40 C LIG 1 6.318 -0.977 0.280 0.00 0.00 +0.100 C ENDBRANCH 33 34 ENDBRANCH 26 33 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 7