REMARK Name = BDB035152 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.018 0.110 -2.664 0.00 0.00 -0.296 NA ATOM 2 C LIG 1 -1.396 0.562 -3.924 0.00 0.00 +0.100 C ATOM 3 C LIG 1 0.130 0.298 -3.976 0.00 0.00 +0.100 C ATOM 4 N LIG 1 0.889 0.833 -2.821 0.00 0.00 -0.292 NA ATOM 5 C LIG 1 0.239 0.328 -1.597 0.00 0.00 +0.100 C ATOM 6 C LIG 1 -1.272 0.647 -1.507 0.00 0.00 +0.100 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 1.056 2.304 -2.878 0.00 0.00 +0.101 C ATOM 8 C LIG 1 1.512 3.016 -1.566 0.00 0.00 +0.165 C ATOM 9 N LIG 1 2.885 2.666 -1.145 0.00 0.00 -0.277 NA ATOM 10 C LIG 1 3.725 2.586 -2.133 0.00 0.00 +0.120 C ATOM 11 C LIG 1 3.399 2.771 -3.572 0.00 0.00 +0.030 C ATOM 12 C LIG 1 2.113 2.613 -3.916 0.00 0.00 -0.004 C BRANCH 10 13 ATOM 13 C LIG 1 5.194 2.289 -1.802 0.00 0.00 +0.262 C ATOM 14 N LIG 1 5.396 1.997 -0.474 0.00 0.00 -0.304 N ATOM 15 H LIG 1 4.542 1.927 0.079 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 6.058 2.318 -2.664 0.00 0.00 -0.269 OA BRANCH 14 17 ATOM 17 C LIG 1 6.696 1.537 0.057 0.00 0.00 +0.108 C ATOM 18 C LIG 1 6.915 0.013 -0.012 0.00 0.00 +0.129 C ATOM 19 N LIG 1 6.439 -0.047 1.343 0.00 0.00 -0.326 N ATOM 20 C LIG 1 6.736 1.337 1.584 0.00 0.00 +0.129 C BRANCH 19 21 ATOM 21 C LIG 1 6.579 -1.120 2.247 0.00 0.00 +0.030 A ATOM 22 C LIG 1 6.730 -2.434 1.786 0.00 0.00 +0.023 A ATOM 23 C LIG 1 6.860 -3.501 2.680 0.00 0.00 +0.002 A ATOM 24 C LIG 1 6.832 -3.268 4.052 0.00 0.00 +0.000 A ATOM 25 C LIG 1 6.669 -1.971 4.529 0.00 0.00 +0.002 A ATOM 26 C LIG 1 6.540 -0.906 3.631 0.00 0.00 +0.023 A ENDBRANCH 19 21 ENDBRANCH 14 17 ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 27 ATOM 27 C LIG 1 -3.441 0.469 -2.627 0.00 0.00 +0.121 C BRANCH 27 37 ATOM 28 C LIG 1 -6.477 -1.706 2.798 0.00 0.00 +0.077 C ATOM 29 C LIG 1 -5.985 -0.257 2.887 0.00 0.00 +0.217 C ATOM 30 O LIG 1 -5.874 0.342 3.952 0.00 0.00 -0.275 OA ATOM 31 N LIG 1 -5.716 0.384 1.707 0.00 0.00 -0.307 N ATOM 32 H LIG 1 -5.363 1.328 1.796 0.00 0.00 +0.149 HD ATOM 33 C LIG 1 -5.645 -0.350 0.473 0.00 0.00 +0.121 C ATOM 34 C LIG 1 -4.925 -1.681 0.735 0.00 0.00 +0.130 C ATOM 35 N LIG 1 -4.641 -2.428 -0.504 0.00 0.00 -0.286 NA ATOM 36 C LIG 1 -4.250 -1.682 -1.486 0.00 0.00 +0.110 C ATOM 37 C LIG 1 -4.189 -0.190 -1.506 0.00 0.00 -0.018 C ATOM 38 C LIG 1 -4.911 0.442 -0.563 0.00 0.00 +0.003 C ATOM 39 C LIG 1 -5.779 -2.527 1.682 0.00 0.00 +0.041 C BRANCH 28 41 ATOM 40 C LIG 1 -8.763 -1.165 3.813 0.00 0.00 +0.004 C ATOM 41 C LIG 1 -8.008 -1.743 2.623 0.00 0.00 +0.009 C ENDBRANCH 28 41 ENDBRANCH 27 37 ENDBRANCH 1 27 TORSDOF 7