REMARK Name = BDB038573 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.805 0.197 0.721 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -2.428 0.442 0.662 0.00 0.00 +0.052 A ATOM 3 C LIG 1 -1.536 -0.502 1.151 0.00 0.00 +0.129 A ATOM 4 N LIG 1 -1.964 -1.672 1.681 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 -3.291 -1.937 1.734 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -4.226 -1.010 1.282 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.144 -0.298 1.128 0.00 0.00 -0.248 N ATOM 8 C LIG 1 0.545 0.836 0.720 0.00 0.00 +0.253 C ATOM 9 O LIG 1 0.145 1.911 0.314 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.974 0.536 0.880 0.00 0.00 +0.042 A ATOM 11 C LIG 1 2.099 -0.754 1.388 0.00 0.00 -0.018 A ATOM 12 C LIG 1 3.349 -1.289 1.635 0.00 0.00 +0.006 A ATOM 13 C LIG 1 4.471 -0.497 1.362 0.00 0.00 +0.005 A ATOM 14 C LIG 1 4.343 0.817 0.849 0.00 0.00 -0.033 A ATOM 15 C LIG 1 3.066 1.340 0.602 0.00 0.00 +0.018 A ATOM 16 C LIG 1 0.746 -1.355 1.578 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 5.578 1.641 0.561 0.00 0.00 +0.116 C BRANCH 17 18 ATOM 18 N LIG 1 6.346 1.054 -0.535 0.00 0.00 -0.312 NA ATOM 19 H LIG 1 5.743 0.987 -1.355 0.00 0.00 +0.122 HD BRANCH 18 20 ATOM 20 C LIG 1 7.516 1.873 -0.856 0.00 0.00 +0.084 C BRANCH 20 21 ATOM 21 C LIG 1 8.321 1.208 -1.975 0.00 0.00 +0.003 C ATOM 22 C LIG 1 9.684 1.875 -2.294 0.00 0.00 +0.005 C ATOM 23 C LIG 1 10.351 0.837 -1.372 0.00 0.00 +0.001 C ATOM 24 C LIG 1 9.126 -0.068 -1.605 0.00 0.00 +0.005 C ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 26 ATOM 25 C LIG 1 -5.674 0.933 -0.843 0.00 0.00 +0.028 A ATOM 26 C LIG 1 -4.769 1.194 0.214 0.00 0.00 -0.007 A ATOM 27 C LIG 1 -4.791 2.472 0.810 0.00 0.00 +0.010 A ATOM 28 C LIG 1 -5.672 3.466 0.376 0.00 0.00 +0.019 A ATOM 29 C LIG 1 -6.550 3.206 -0.674 0.00 0.00 +0.052 A ATOM 30 C LIG 1 -6.548 1.947 -1.281 0.00 0.00 +0.031 A BRANCH 25 33 ATOM 31 C LIG 1 -8.040 -1.089 -0.911 0.00 0.00 +0.152 C ATOM 32 N LIG 1 -6.768 -1.227 -1.568 0.00 0.00 -0.317 N ATOM 33 C LIG 1 -5.705 -0.356 -1.536 0.00 0.00 +0.164 A ATOM 34 N LIG 1 -4.718 -0.895 -2.228 0.00 0.00 -0.129 NA ATOM 35 N LIG 1 -5.139 -2.108 -2.720 0.00 0.00 -0.138 NA ATOM 36 C LIG 1 -6.372 -2.293 -2.315 0.00 0.00 +0.225 A ENDBRANCH 25 33 BRANCH 29 37 ATOM 37 C LIG 1 -7.453 4.222 -1.129 0.00 0.00 +0.099 C ATOM 38 N LIG 1 -8.202 5.031 -1.492 0.00 0.00 -0.191 NA ENDBRANCH 29 37 ENDBRANCH 1 26 BRANCH 5 39 ATOM 39 C LIG 1 -3.739 -3.259 2.311 0.00 0.00 +0.038 C ATOM 40 C LIG 1 -4.462 -4.257 1.434 0.00 0.00 +0.010 C ATOM 41 C LIG 1 -3.059 -4.538 1.879 0.00 0.00 +0.010 C ENDBRANCH 5 39 TORSDOF 9