REMARK Name = BDB034580 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.665 -0.530 -1.822 0.00 0.00 +0.267 C ATOM 2 N LIG 1 1.696 0.015 -1.084 0.00 0.00 -0.280 N ATOM 3 H LIG 1 1.475 0.168 -0.104 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 0.649 -0.722 -3.034 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 -2.897 -1.243 -0.822 0.00 0.00 -0.027 A ATOM 6 C LIG 1 -2.676 -1.459 0.551 0.00 0.00 +0.028 A ATOM 7 C LIG 1 -1.392 -1.368 1.105 0.00 0.00 +0.046 A ATOM 8 N LIG 1 -0.327 -1.046 0.328 0.00 0.00 -0.247 NA ATOM 9 C LIG 1 -0.544 -0.859 -1.005 0.00 0.00 +0.126 A ATOM 10 C LIG 1 -1.789 -0.937 -1.615 0.00 0.00 +0.038 A BRANCH 7 11 ATOM 11 C LIG 1 -1.101 -1.632 2.569 0.00 0.00 +0.038 C ATOM 12 C LIG 1 -1.882 -2.667 3.354 0.00 0.00 +0.010 C ATOM 13 C LIG 1 -2.047 -1.208 3.669 0.00 0.00 +0.010 C ENDBRANCH 7 11 BRANCH 5 15 ATOM 14 C LIG 1 -5.113 -2.488 -1.019 0.00 0.00 +0.029 C ATOM 15 C LIG 1 -4.284 -1.273 -1.458 0.00 0.00 +0.084 C BRANCH 15 16 ATOM 16 N LIG 1 -4.907 0.056 -1.325 0.00 0.00 -0.295 NA ATOM 17 C LIG 1 -5.644 0.307 -0.082 0.00 0.00 +0.092 C ATOM 18 C LIG 1 -7.094 0.105 -0.448 0.00 0.00 -0.015 C ATOM 19 C LIG 1 -8.013 -0.759 0.391 0.00 0.00 +0.009 C ATOM 20 C LIG 1 -8.173 0.729 0.409 0.00 0.00 +0.009 C ATOM 21 C LIG 1 -7.227 0.076 -1.936 0.00 0.00 +0.023 C ATOM 22 C LIG 1 -5.823 0.409 -2.422 0.00 0.00 +0.085 C ENDBRANCH 15 16 ENDBRANCH 5 15 ENDBRANCH 1 9 BRANCH 2 23 ATOM 23 C LIG 1 2.975 0.386 -1.534 0.00 0.00 +0.034 A ATOM 24 C LIG 1 3.760 1.172 -0.682 0.00 0.00 +0.027 A ATOM 25 C LIG 1 5.071 1.595 -1.013 0.00 0.00 -0.032 A ATOM 26 C LIG 1 5.568 1.141 -2.250 0.00 0.00 +0.004 A ATOM 27 C LIG 1 4.799 0.354 -3.109 0.00 0.00 +0.002 A ATOM 28 C LIG 1 3.502 -0.011 -2.755 0.00 0.00 +0.023 A BRANCH 25 29 ATOM 29 C LIG 1 5.927 2.546 -0.044 0.00 0.00 +0.080 C ATOM 30 C LIG 1 6.892 3.561 -0.705 0.00 0.00 +0.177 C ATOM 31 O LIG 1 6.477 4.597 0.228 0.00 0.00 -0.378 OA ATOM 32 C LIG 1 5.255 3.844 0.480 0.00 0.00 +0.177 C BRANCH 29 33 ATOM 33 C LIG 1 6.682 1.764 1.039 0.00 0.00 +0.248 C ATOM 34 F LIG 1 7.586 0.951 0.406 0.00 0.00 -0.236 F BRANCH 33 35 ATOM 35 C LIG 1 5.785 0.983 1.944 0.00 0.00 +0.168 A ATOM 36 N LIG 1 5.836 -0.374 2.149 0.00 0.00 -0.318 N ATOM 37 C LIG 1 6.714 -1.343 1.544 0.00 0.00 +0.151 C ATOM 38 C LIG 1 4.858 -0.657 3.056 0.00 0.00 +0.224 A ATOM 39 N LIG 1 4.224 0.442 3.378 0.00 0.00 -0.138 NA ATOM 40 N LIG 1 4.806 1.474 2.680 0.00 0.00 -0.132 NA ENDBRANCH 33 35 ENDBRANCH 29 33 ENDBRANCH 25 29 ENDBRANCH 2 23 TORSDOF 8