REMARK Name = BDB024192 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.209 -1.999 1.398 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.973 -3.399 1.946 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -2.248 -3.677 3.295 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.041 -4.955 3.816 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.567 -5.975 2.995 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.307 -5.721 1.649 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.514 -4.443 1.126 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -1.011 -1.524 0.522 0.00 0.00 +0.240 C ATOM 9 N LIG 1 0.028 -1.016 1.274 0.00 0.00 -0.269 N ATOM 10 H LIG 1 -0.026 -1.052 2.284 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -1.036 -1.605 -0.706 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 1.228 -0.463 0.835 0.00 0.00 +0.125 A ATOM 13 N LIG 1 2.023 -0.055 1.845 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 3.210 0.516 1.516 0.00 0.00 +0.121 A ATOM 15 C LIG 1 3.662 0.711 0.215 0.00 0.00 +0.003 A ATOM 16 C LIG 1 2.817 0.273 -0.805 0.00 0.00 +0.013 A ATOM 17 C LIG 1 1.588 -0.319 -0.496 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 4.935 1.354 -0.052 0.00 0.00 +0.021 A ATOM 19 C LIG 1 5.659 1.246 -1.222 0.00 0.00 +0.118 A ATOM 20 N LIG 1 6.800 1.996 -1.060 0.00 0.00 -0.251 N ATOM 21 N LIG 1 6.833 2.622 0.138 0.00 0.00 -0.178 NA ATOM 22 C LIG 1 5.719 2.215 0.749 0.00 0.00 +0.143 A BRANCH 20 23 ATOM 23 C LIG 1 7.857 2.248 -2.059 0.00 0.00 +0.143 C ATOM 24 C LIG 1 9.178 2.695 -1.396 0.00 0.00 +0.052 C ATOM 25 C LIG 1 7.377 3.353 -3.015 0.00 0.00 +0.052 C BRANCH 23 26 ATOM 26 C LIG 1 8.137 1.019 -2.838 0.00 0.00 +0.092 C ATOM 27 N LIG 1 8.354 0.067 -3.467 0.00 0.00 -0.194 NA ENDBRANCH 23 26 ENDBRANCH 20 23 ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 28 ATOM 28 N LIG 1 -3.475 -1.965 0.630 0.00 0.00 -0.301 NA ATOM 29 H LIG 1 -3.284 -2.405 -0.275 0.00 0.00 +0.123 HD BRANCH 28 30 ATOM 30 C LIG 1 -3.945 -0.593 0.400 0.00 0.00 +0.089 C BRANCH 30 32 ATOM 31 C LIG 1 -6.426 -1.213 0.404 0.00 0.00 +0.014 C ATOM 32 C LIG 1 -5.279 -0.573 -0.389 0.00 0.00 +0.030 C BRANCH 32 33 ATOM 33 C LIG 1 -5.657 0.839 -0.821 0.00 0.00 -0.043 A ATOM 34 C LIG 1 -5.775 1.889 0.105 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -6.114 3.178 -0.318 0.00 0.00 +0.019 A ATOM 36 C LIG 1 -6.351 3.434 -1.672 0.00 0.00 +0.052 A ATOM 37 C LIG 1 -6.248 2.394 -2.601 0.00 0.00 +0.019 A ATOM 38 C LIG 1 -5.904 1.107 -2.178 0.00 0.00 +0.005 A BRANCH 36 39 ATOM 39 C LIG 1 -6.693 4.756 -2.107 0.00 0.00 +0.099 C ATOM 40 N LIG 1 -6.965 5.827 -2.461 0.00 0.00 -0.191 NA ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 28 30 ENDBRANCH 1 28 TORSDOF 11