REMARK Name = BDB023414 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.578 3.111 0.535 0.00 0.00 -0.033 A ATOM 2 C LIG 1 -0.414 2.175 0.198 0.00 0.00 +0.012 A ATOM 3 C LIG 1 -1.530 1.978 1.024 0.00 0.00 -0.025 A ATOM 4 C LIG 1 -1.656 2.748 2.187 0.00 0.00 +0.008 A ATOM 5 C LIG 1 -0.670 3.671 2.538 0.00 0.00 +0.001 A ATOM 6 C LIG 1 0.446 3.845 1.721 0.00 0.00 +0.005 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.597 1.026 0.686 0.00 0.00 +0.013 C ATOM 8 C LIG 1 -2.363 -0.190 0.166 0.00 0.00 +0.068 C BRANCH 8 9 ATOM 9 C LIG 1 -3.428 -1.161 -0.206 0.00 0.00 +0.241 C ATOM 10 N LIG 1 -4.519 -1.147 0.624 0.00 0.00 -0.280 N ATOM 11 H LIG 1 -4.510 -0.549 1.444 0.00 0.00 +0.155 HD ATOM 12 O LIG 1 -3.228 -1.903 -1.161 0.00 0.00 -0.270 OA BRANCH 10 13 ATOM 13 C LIG 1 -5.675 -1.952 0.560 0.00 0.00 +0.054 A ATOM 14 C LIG 1 -6.633 -1.736 1.575 0.00 0.00 +0.046 A ATOM 15 C LIG 1 -7.833 -2.454 1.556 0.00 0.00 +0.024 A ATOM 16 C LIG 1 -8.049 -3.433 0.586 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -7.085 -3.671 -0.392 0.00 0.00 +0.002 A ATOM 18 C LIG 1 -5.902 -2.928 -0.411 0.00 0.00 +0.025 A BRANCH 14 19 ATOM 19 N LIG 1 -6.481 -0.630 2.458 0.00 0.00 -0.357 N ATOM 20 H LIG 1 -7.040 -0.765 3.300 0.00 0.00 +0.142 HD ATOM 21 H LIG 1 -6.814 0.210 1.984 0.00 0.00 +0.142 HD ENDBRANCH 14 19 ENDBRANCH 10 13 ENDBRANCH 8 9 ENDBRANCH 3 7 BRANCH 1 22 ATOM 22 C LIG 1 1.793 3.291 -0.344 0.00 0.00 +0.116 C BRANCH 22 23 ATOM 23 N LIG 1 2.898 2.472 0.145 0.00 0.00 -0.312 NA ATOM 24 H LIG 1 2.597 1.496 0.162 0.00 0.00 +0.122 HD BRANCH 23 25 ATOM 25 C LIG 1 4.071 2.581 -0.730 0.00 0.00 +0.086 C BRANCH 25 26 ATOM 26 C LIG 1 5.189 1.611 -0.310 0.00 0.00 +0.052 C BRANCH 26 29 ATOM 27 C LIG 1 4.141 -0.608 1.847 0.00 0.00 +0.063 C ATOM 28 C LIG 1 4.400 -0.751 0.390 0.00 0.00 +0.017 A ATOM 29 C LIG 1 4.845 0.168 -0.550 0.00 0.00 -0.018 A ATOM 30 C LIG 1 4.912 -0.517 -1.808 0.00 0.00 +0.003 A ATOM 31 C LIG 1 4.494 -1.829 -1.593 0.00 0.00 +0.047 A ATOM 32 C LIG 1 4.428 -2.783 -2.616 0.00 0.00 +0.026 A ATOM 33 C LIG 1 4.806 -2.381 -3.901 0.00 0.00 +0.002 A ATOM 34 C LIG 1 5.230 -1.079 -4.149 0.00 0.00 +0.001 A ATOM 35 C LIG 1 5.288 -0.139 -3.114 0.00 0.00 +0.010 A ATOM 36 N LIG 1 4.190 -1.942 -0.258 0.00 0.00 -0.358 N ATOM 37 H LIG 1 3.858 -2.791 0.178 0.00 0.00 +0.166 HD ENDBRANCH 26 29 ENDBRANCH 25 26 ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 9