REMARK Name = BDB038736 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.892 0.331 0.935 0.00 0.00 +0.129 A ATOM 2 N LIG 1 -1.361 1.318 1.736 0.00 0.00 -0.236 NA ATOM 3 C LIG 1 -2.696 1.524 1.835 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -3.598 0.734 1.127 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -3.133 -0.283 0.292 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -1.750 -0.479 0.206 0.00 0.00 +0.052 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 5.032 -0.710 0.399 0.00 0.00 -0.030 A ATOM 8 C LIG 1 3.767 -1.188 0.017 0.00 0.00 +0.018 A ATOM 9 C LIG 1 2.649 -0.510 0.471 0.00 0.00 +0.042 A ATOM 10 C LIG 1 1.231 -0.799 0.218 0.00 0.00 +0.253 C ATOM 11 N LIG 1 0.504 0.174 0.888 0.00 0.00 -0.248 N ATOM 12 C LIG 1 1.358 1.107 1.605 0.00 0.00 +0.151 C ATOM 13 O LIG 1 0.870 -1.746 -0.456 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 2.730 0.612 1.288 0.00 0.00 -0.018 A ATOM 15 C LIG 1 3.961 1.099 1.683 0.00 0.00 +0.006 A ATOM 16 C LIG 1 5.109 0.432 1.236 0.00 0.00 +0.005 A BRANCH 7 18 ATOM 17 C LIG 1 6.363 -2.837 0.479 0.00 0.00 +0.029 C ATOM 18 C LIG 1 6.317 -1.396 -0.050 0.00 0.00 +0.081 C BRANCH 18 19 ATOM 19 N LIG 1 6.451 -1.462 -1.513 0.00 0.00 -0.303 NA ATOM 20 H LIG 1 5.536 -1.600 -1.938 0.00 0.00 +0.123 HD BRANCH 19 21 ATOM 21 C LIG 1 7.286 -0.457 -2.199 0.00 0.00 +0.106 C ATOM 22 C LIG 1 8.658 -0.245 -1.548 0.00 0.00 +0.180 C ATOM 23 O LIG 1 8.205 0.995 -0.929 0.00 0.00 -0.377 OA ATOM 24 C LIG 1 7.029 0.994 -1.788 0.00 0.00 +0.180 C ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 7 18 ENDBRANCH 1 11 BRANCH 5 25 ATOM 25 C LIG 1 -4.062 -1.139 -0.469 0.00 0.00 -0.007 A ATOM 26 C LIG 1 -4.884 -0.652 -1.513 0.00 0.00 +0.028 A ATOM 27 C LIG 1 -5.732 -1.538 -2.204 0.00 0.00 +0.031 A ATOM 28 C LIG 1 -5.788 -2.893 -1.862 0.00 0.00 +0.052 A ATOM 29 C LIG 1 -4.989 -3.377 -0.828 0.00 0.00 +0.019 A ATOM 30 C LIG 1 -4.134 -2.509 -0.143 0.00 0.00 +0.010 A BRANCH 26 31 ATOM 31 C LIG 1 -4.850 0.749 -1.931 0.00 0.00 +0.164 A ATOM 32 N LIG 1 -5.896 1.638 -1.856 0.00 0.00 -0.317 N ATOM 33 C LIG 1 -7.211 1.405 -1.323 0.00 0.00 +0.152 C ATOM 34 C LIG 1 -5.435 2.819 -2.350 0.00 0.00 +0.225 A ATOM 35 N LIG 1 -4.182 2.684 -2.707 0.00 0.00 -0.138 NA ATOM 36 N LIG 1 -3.811 1.387 -2.440 0.00 0.00 -0.129 NA ENDBRANCH 26 31 BRANCH 28 37 ATOM 37 C LIG 1 -6.665 -3.777 -2.571 0.00 0.00 +0.099 C ATOM 38 N LIG 1 -7.393 -4.481 -3.139 0.00 0.00 -0.191 NA ENDBRANCH 28 37 ENDBRANCH 5 25 BRANCH 3 39 ATOM 39 C LIG 1 -3.186 2.646 2.720 0.00 0.00 +0.038 C ATOM 40 C LIG 1 -2.608 2.818 4.106 0.00 0.00 +0.010 C ATOM 41 C LIG 1 -4.019 2.341 3.944 0.00 0.00 +0.010 C ENDBRANCH 3 39 TORSDOF 8