REMARK Name = BDB024272 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.346 -1.723 0.424 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.088 -3.223 0.367 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.295 -4.011 1.510 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.061 -5.387 1.478 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.628 -5.994 0.301 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.437 -5.229 -0.847 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.671 -3.853 -0.818 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.203 -0.920 -0.273 0.00 0.00 +0.239 C ATOM 9 N LIG 1 0.987 -0.960 0.443 0.00 0.00 -0.284 N ATOM 10 H LIG 1 1.008 -1.586 1.240 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 -0.386 -0.335 -1.340 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 2.201 -0.318 0.131 0.00 0.00 +0.033 A ATOM 13 C LIG 1 3.297 -0.589 0.956 0.00 0.00 +0.024 A ATOM 14 C LIG 1 4.540 0.012 0.718 0.00 0.00 +0.010 A ATOM 15 C LIG 1 4.711 0.899 -0.350 0.00 0.00 -0.015 A ATOM 16 C LIG 1 3.610 1.172 -1.170 0.00 0.00 +0.010 A ATOM 17 C LIG 1 2.366 0.569 -0.932 0.00 0.00 +0.024 A BRANCH 15 18 ATOM 18 C LIG 1 5.991 1.537 -0.608 0.00 0.00 +0.020 A ATOM 19 C LIG 1 7.226 1.005 -0.296 0.00 0.00 +0.116 A ATOM 20 N LIG 1 8.154 1.913 -0.720 0.00 0.00 -0.274 N ATOM 21 C LIG 1 9.589 1.801 -0.620 0.00 0.00 +0.172 C ATOM 22 N LIG 1 7.615 3.005 -1.288 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 6.301 2.773 -1.222 0.00 0.00 +0.142 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 -2.659 -1.418 -0.187 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -2.510 -1.386 -1.200 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.181 -0.118 0.253 0.00 0.00 +0.089 C BRANCH 26 28 ATOM 27 C LIG 1 -5.612 -0.773 -0.219 0.00 0.00 +0.014 C ATOM 28 C LIG 1 -4.497 0.249 -0.475 0.00 0.00 +0.030 C BRANCH 28 29 ATOM 29 C LIG 1 -4.933 1.660 -0.099 0.00 0.00 -0.043 A ATOM 30 C LIG 1 -5.425 1.965 1.180 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -5.808 3.270 1.504 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -5.701 4.290 0.555 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -5.207 3.999 -0.719 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -4.825 2.694 -1.042 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -6.094 5.627 0.888 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -6.412 6.710 1.160 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9