REMARK Name = BDB000250 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.872 -0.934 1.844 0.00 0.00 -0.025 C ATOM 2 C LIG 1 -1.769 -0.345 2.944 0.00 0.00 +0.011 C ATOM 3 C LIG 1 -0.474 -2.377 2.215 0.00 0.00 +0.011 C ENDROOT BRANCH 1 4 ATOM 4 C LIG 1 0.429 -0.077 1.644 0.00 0.00 +0.028 C BRANCH 4 5 ATOM 5 C LIG 1 1.362 0.154 2.860 0.00 0.00 +0.080 C BRANCH 5 6 ATOM 6 N LIG 1 0.813 1.178 3.756 0.00 0.00 -0.325 NA ATOM 7 H LIG 1 1.471 1.381 4.507 0.00 0.00 +0.119 HD ATOM 8 H LIG 1 0.670 2.049 3.247 0.00 0.00 +0.119 HD ENDBRANCH 5 6 BRANCH 5 9 ATOM 9 C LIG 1 2.828 0.488 2.425 0.00 0.00 +0.132 C BRANCH 9 10 ATOM 10 O LIG 1 3.391 -0.597 1.692 0.00 0.00 -0.390 OA ATOM 11 H LIG 1 3.178 -1.424 2.157 0.00 0.00 +0.210 HD ENDBRANCH 9 10 BRANCH 9 12 ATOM 12 C LIG 1 2.963 1.802 1.627 0.00 0.00 +0.045 C BRANCH 12 13 ATOM 13 C LIG 1 4.312 2.021 0.905 0.00 0.00 +0.074 C ATOM 14 C LIG 1 5.507 1.729 1.815 0.00 0.00 +0.017 C BRANCH 13 17 ATOM 15 N LIG 1 5.601 1.230 -1.032 0.00 0.00 -0.315 N ATOM 16 H LIG 1 6.308 1.868 -0.695 0.00 0.00 +0.149 HD ATOM 17 C LIG 1 4.353 1.279 -0.442 0.00 0.00 +0.216 C ATOM 18 O LIG 1 3.348 0.857 -1.008 0.00 0.00 -0.276 OA BRANCH 15 19 ATOM 19 C LIG 1 5.776 0.674 -2.357 0.00 0.00 +0.104 C BRANCH 19 20 ATOM 20 C LIG 1 7.219 0.253 -2.627 0.00 0.00 +0.018 C BRANCH 20 22 ATOM 21 C LIG 1 7.641 -1.099 -0.486 0.00 0.00 +0.004 C ATOM 22 C LIG 1 7.616 -1.090 -2.006 0.00 0.00 -0.002 C ENDBRANCH 20 22 ENDBRANCH 19 20 ENDBRANCH 15 19 ENDBRANCH 13 17 ENDBRANCH 12 13 ENDBRANCH 9 12 ENDBRANCH 5 9 ENDBRANCH 4 5 ENDBRANCH 1 4 BRANCH 1 23 ATOM 23 C LIG 1 -1.616 -0.900 0.468 0.00 0.00 +0.102 C BRANCH 23 24 ATOM 24 C LIG 1 -2.998 -1.553 0.388 0.00 0.00 +0.220 C ATOM 25 N LIG 1 -3.960 -1.018 -0.486 0.00 0.00 -0.270 N ATOM 26 C LIG 1 -3.735 -0.126 -1.586 0.00 0.00 +0.039 A ATOM 27 C LIG 1 -4.778 0.712 -2.032 0.00 0.00 -0.025 A ATOM 28 C LIG 1 -4.560 1.635 -3.070 0.00 0.00 +0.005 A ATOM 29 C LIG 1 -3.331 1.691 -3.716 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -2.322 0.812 -3.344 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -6.141 0.634 -1.402 0.00 0.00 +0.053 C ATOM 32 C LIG 1 -6.417 -0.818 -1.056 0.00 0.00 +0.120 C ATOM 33 C LIG 1 -2.530 -0.095 -2.299 0.00 0.00 +0.024 A ATOM 34 C LIG 1 -5.348 -1.304 -0.089 0.00 0.00 +0.128 C ATOM 35 O LIG 1 -3.284 -2.503 1.123 0.00 0.00 -0.275 OA BRANCH 32 36 ATOM 36 C LIG 1 -7.791 -0.950 -0.446 0.00 0.00 +0.312 C ATOM 37 O LIG 1 -8.026 -1.071 0.748 0.00 0.00 -0.250 OA BRANCH 36 38 ATOM 38 O LIG 1 -8.740 -0.898 -1.424 0.00 0.00 -0.468 OA ATOM 39 C LIG 1 -10.080 -1.015 -0.943 0.00 0.00 +0.280 C ENDBRANCH 36 38 ENDBRANCH 32 36 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 15