REMARK Name = BDB029637 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.170 -3.516 1.046 0.00 0.00 -0.295 NA ATOM 2 C LIG 1 1.590 -2.524 1.963 0.00 0.00 +0.103 C ATOM 3 C LIG 1 0.086 -2.259 1.714 0.00 0.00 +0.120 C ATOM 4 N LIG 1 -0.136 -1.760 0.345 0.00 0.00 -0.326 N ATOM 5 C LIG 1 0.849 -2.170 -0.672 0.00 0.00 +0.120 C ATOM 6 C LIG 1 1.537 -3.501 -0.282 0.00 0.00 +0.103 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -1.217 -0.956 0.031 0.00 0.00 +0.048 A ATOM 8 C LIG 1 -2.358 -0.852 0.840 0.00 0.00 +0.134 A ATOM 9 N LIG 1 -3.450 -0.081 0.595 0.00 0.00 -0.249 NA ATOM 10 C LIG 1 -3.415 0.651 -0.548 0.00 0.00 +0.125 A ATOM 11 C LIG 1 -2.351 0.637 -1.432 0.00 0.00 +0.035 A ATOM 12 C LIG 1 -1.252 -0.173 -1.131 0.00 0.00 +0.027 A BRANCH 10 13 ATOM 13 C LIG 1 -4.616 1.503 -0.830 0.00 0.00 +0.262 C ATOM 14 N LIG 1 -5.593 1.441 0.142 0.00 0.00 -0.310 N ATOM 15 H LIG 1 -5.406 0.817 0.924 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 -4.702 2.181 -1.847 0.00 0.00 -0.269 OA BRANCH 14 17 ATOM 17 C LIG 1 -6.846 2.156 0.052 0.00 0.00 +0.110 C BRANCH 17 18 ATOM 18 C LIG 1 -7.855 1.448 -0.862 0.00 0.00 +0.034 C ATOM 19 C LIG 1 -8.419 0.192 -0.219 0.00 0.00 +0.165 C ATOM 20 O LIG 1 -9.526 0.603 0.598 0.00 0.00 -0.379 OA ATOM 21 C LIG 1 -9.934 1.914 0.185 0.00 0.00 +0.160 C ATOM 22 C LIG 1 -9.118 2.269 -1.041 0.00 0.00 +0.035 C ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 23 ATOM 23 C LIG 1 3.632 -3.584 1.054 0.00 0.00 +0.121 C BRANCH 23 33 ATOM 24 C LIG 1 6.780 1.851 -0.699 0.00 0.00 +0.019 A ATOM 25 C LIG 1 6.447 1.951 0.760 0.00 0.00 +0.252 A ATOM 26 O LIG 1 6.747 2.934 1.429 0.00 0.00 -0.268 OA ATOM 27 N LIG 1 5.785 0.889 1.324 0.00 0.00 -0.321 N ATOM 28 H LIG 1 5.571 0.975 2.308 0.00 0.00 +0.169 HD ATOM 29 C LIG 1 5.409 -0.249 0.603 0.00 0.00 +0.068 A ATOM 30 C LIG 1 5.707 -0.341 -0.754 0.00 0.00 +0.088 A ATOM 31 N LIG 1 5.384 -1.403 -1.521 0.00 0.00 -0.253 NA ATOM 32 C LIG 1 4.733 -2.413 -0.899 0.00 0.00 +0.116 A ATOM 33 C LIG 1 4.372 -2.416 0.449 0.00 0.00 -0.013 A ATOM 34 C LIG 1 4.737 -1.300 1.214 0.00 0.00 +0.034 A ATOM 35 C LIG 1 6.410 0.763 -1.398 0.00 0.00 +0.038 A BRANCH 24 37 ATOM 36 C LIG 1 8.981 3.026 -0.999 0.00 0.00 +0.009 C ATOM 37 C LIG 1 7.494 3.018 -1.324 0.00 0.00 +0.037 C ENDBRANCH 24 37 ENDBRANCH 23 33 ENDBRANCH 1 23 TORSDOF 7