REMARK Name = BDB024398 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.266 -0.414 1.385 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.351 -1.934 1.289 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.368 -2.548 0.022 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.469 -3.935 -0.100 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.572 -4.729 1.040 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.587 -4.135 2.300 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.487 -2.748 2.424 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.848 0.509 2.475 0.00 0.00 -0.269 N ATOM 9 H LIG 1 1.173 1.017 3.289 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.436 0.074 2.609 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -0.931 0.168 3.741 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 3.912 0.469 -0.321 0.00 0.00 +0.004 A ATOM 13 C LIG 1 3.846 1.312 0.777 0.00 0.00 +0.121 A ATOM 14 N LIG 1 2.833 1.305 1.679 0.00 0.00 -0.240 NA ATOM 15 C LIG 1 1.818 0.437 1.484 0.00 0.00 +0.125 A ATOM 16 C LIG 1 1.817 -0.463 0.431 0.00 0.00 +0.044 A ATOM 17 C LIG 1 2.871 -0.440 -0.487 0.00 0.00 +0.013 A BRANCH 12 20 ATOM 18 C LIG 1 4.907 2.987 -2.157 0.00 0.00 +0.068 C ATOM 19 C LIG 1 5.469 1.618 -2.052 0.00 0.00 +0.068 A ATOM 20 C LIG 1 5.015 0.535 -1.253 0.00 0.00 +0.027 A ATOM 21 C LIG 1 5.889 -0.505 -1.524 0.00 0.00 +0.044 A ATOM 22 C LIG 1 5.981 -1.890 -0.991 0.00 0.00 +0.066 C ATOM 23 N LIG 1 6.764 -0.008 -2.458 0.00 0.00 -0.271 N ATOM 24 C LIG 1 7.866 -0.701 -3.084 0.00 0.00 +0.172 C ATOM 25 N LIG 1 6.539 1.278 -2.778 0.00 0.00 -0.176 NA ENDBRANCH 12 20 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 26 ATOM 26 N LIG 1 -2.645 0.132 1.439 0.00 0.00 -0.301 NA ATOM 27 H LIG 1 -3.201 -0.324 0.717 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -2.688 1.584 1.233 0.00 0.00 +0.089 C BRANCH 28 29 ATOM 29 C LIG 1 -4.125 2.165 1.281 0.00 0.00 +0.030 C ATOM 30 C LIG 1 -4.785 1.943 2.648 0.00 0.00 +0.014 C BRANCH 29 31 ATOM 31 C LIG 1 -4.968 1.695 0.100 0.00 0.00 -0.043 A ATOM 32 C LIG 1 -5.759 0.537 0.154 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -6.502 0.125 -0.956 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -6.464 0.864 -2.141 0.00 0.00 +0.052 A ATOM 35 C LIG 1 -5.677 2.016 -2.210 0.00 0.00 +0.019 A ATOM 36 C LIG 1 -4.934 2.425 -1.099 0.00 0.00 +0.005 A BRANCH 34 37 ATOM 37 C LIG 1 -7.223 0.440 -3.280 0.00 0.00 +0.099 C ATOM 38 N LIG 1 -7.832 0.096 -4.206 0.00 0.00 -0.191 NA ENDBRANCH 34 37 ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9