REMARK Name = BDB027567 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.572 1.083 3.546 0.00 0.00 +0.247 C ATOM 2 N LIG 1 1.897 1.080 3.116 0.00 0.00 -0.296 N ATOM 3 C LIG 1 2.314 1.134 1.703 0.00 0.00 +0.130 C ATOM 4 C LIG 1 3.539 2.048 1.507 0.00 0.00 +0.090 C ATOM 5 C LIG 1 4.737 1.617 2.369 0.00 0.00 +0.025 C ATOM 6 C LIG 1 4.313 0.836 3.616 0.00 0.00 +0.021 C ATOM 7 C LIG 1 2.938 1.256 4.125 0.00 0.00 +0.108 C ATOM 8 O LIG 1 0.243 1.322 4.706 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 12 ATOM 9 C LIG 1 -2.577 0.215 0.771 0.00 0.00 +0.034 A ATOM 10 C LIG 1 -1.508 -0.679 0.928 0.00 0.00 +0.024 A ATOM 11 C LIG 1 -0.474 -0.405 1.828 0.00 0.00 +0.015 A ATOM 12 C LIG 1 -0.500 0.776 2.573 0.00 0.00 +0.037 A ATOM 13 C LIG 1 -1.576 1.657 2.450 0.00 0.00 +0.015 A ATOM 14 C LIG 1 -2.606 1.380 1.544 0.00 0.00 +0.024 A BRANCH 9 16 ATOM 15 C LIG 1 -4.660 0.622 -0.545 0.00 0.00 +0.241 C ATOM 16 N LIG 1 -3.576 -0.134 -0.160 0.00 0.00 -0.282 N ATOM 17 H LIG 1 -3.447 -1.016 -0.637 0.00 0.00 +0.155 HD ATOM 18 O LIG 1 -4.932 1.769 -0.215 0.00 0.00 -0.271 OA BRANCH 15 20 ATOM 19 C LIG 1 -5.884 -1.349 -1.472 0.00 0.00 -0.007 C ATOM 20 C LIG 1 -5.535 -0.054 -1.540 0.00 0.00 +0.064 C BRANCH 19 21 ATOM 21 C LIG 1 -6.806 -2.011 -2.458 0.00 0.00 +0.111 C BRANCH 21 23 ATOM 22 C LIG 1 -8.923 -1.388 -1.429 0.00 0.00 +0.104 C ATOM 23 N LIG 1 -8.084 -2.478 -1.922 0.00 0.00 -0.305 NA ATOM 24 C LIG 1 -7.949 -3.537 -0.928 0.00 0.00 +0.104 C ENDBRANCH 21 23 ENDBRANCH 19 21 ENDBRANCH 15 20 ENDBRANCH 9 16 ENDBRANCH 1 12 BRANCH 4 25 ATOM 25 N LIG 1 3.893 2.277 0.110 0.00 0.00 -0.309 N ATOM 26 H LIG 1 4.457 3.102 -0.068 0.00 0.00 +0.149 HD BRANCH 25 27 ATOM 27 C LIG 1 4.421 1.269 -0.668 0.00 0.00 +0.216 A ATOM 28 N LIG 1 5.249 1.678 -1.637 0.00 0.00 -0.215 NA ATOM 29 C LIG 1 5.798 0.751 -2.436 0.00 0.00 +0.076 A ATOM 30 C LIG 1 5.537 -0.611 -2.285 0.00 0.00 +0.019 A ATOM 31 C LIG 1 6.124 -1.568 -3.137 0.00 0.00 +0.011 A ATOM 32 C LIG 1 6.981 -1.156 -4.154 0.00 0.00 +0.001 A ATOM 33 C LIG 1 7.249 0.199 -4.315 0.00 0.00 +0.002 A ATOM 34 C LIG 1 4.675 -0.925 -1.250 0.00 0.00 +0.124 A ATOM 35 C LIG 1 6.658 1.135 -3.458 0.00 0.00 +0.028 A ATOM 36 N LIG 1 4.114 -0.011 -0.436 0.00 0.00 -0.222 NA ENDBRANCH 25 27 ENDBRANCH 4 25 TORSDOF 7