REMARK Name = BDB024339 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.338 -0.661 2.223 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.811 -1.856 3.013 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.782 -3.119 2.394 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.309 -4.242 3.075 0.00 0.00 +0.000 A ATOM 5 C LIG 1 0.130 -4.124 4.391 0.00 0.00 +0.000 A ATOM 6 C LIG 1 0.084 -2.886 5.028 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.390 -1.761 4.349 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.803 0.700 2.738 0.00 0.00 +0.240 C ATOM 9 N LIG 1 0.245 1.337 2.151 0.00 0.00 -0.269 N ATOM 10 H LIG 1 0.340 2.300 2.453 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -1.373 1.290 3.669 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 1.208 0.993 1.210 0.00 0.00 +0.125 A ATOM 13 N LIG 1 1.858 2.067 0.717 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 2.827 1.859 -0.207 0.00 0.00 +0.121 A ATOM 15 C LIG 1 3.206 0.606 -0.669 0.00 0.00 +0.001 A ATOM 16 C LIG 1 2.546 -0.491 -0.121 0.00 0.00 +0.013 A ATOM 17 C LIG 1 1.542 -0.298 0.833 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 4.276 0.449 -1.665 0.00 0.00 -0.010 A ATOM 19 C LIG 1 3.943 0.013 -2.892 0.00 0.00 +0.078 A ATOM 20 C LIG 1 4.975 -0.160 -3.951 0.00 0.00 +0.252 A ATOM 21 O LIG 1 4.628 -0.568 -5.055 0.00 0.00 -0.268 OA ATOM 22 N LIG 1 6.279 0.167 -3.590 0.00 0.00 -0.318 N ATOM 23 C LIG 1 7.346 0.016 -4.567 0.00 0.00 +0.152 C ATOM 24 C LIG 1 6.603 0.603 -2.318 0.00 0.00 +0.089 A ATOM 25 C LIG 1 5.665 0.748 -1.375 0.00 0.00 +0.026 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 -2.825 -0.677 2.276 0.00 0.00 -0.301 NA ATOM 27 H LIG 1 -3.075 -0.412 3.234 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.467 0.274 1.358 0.00 0.00 +0.089 C BRANCH 28 30 ATOM 29 C LIG 1 -3.944 -1.466 -0.458 0.00 0.00 +0.014 C ATOM 30 C LIG 1 -3.360 -0.082 -0.146 0.00 0.00 +0.030 C BRANCH 30 31 ATOM 31 C LIG 1 -4.003 1.010 -0.993 0.00 0.00 -0.043 A ATOM 32 C LIG 1 -5.395 1.179 -1.049 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -5.959 2.198 -1.823 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -5.138 3.066 -2.548 0.00 0.00 +0.052 A ATOM 35 C LIG 1 -3.751 2.913 -2.492 0.00 0.00 +0.019 A ATOM 36 C LIG 1 -3.188 1.894 -1.719 0.00 0.00 +0.005 A BRANCH 34 37 ATOM 37 C LIG 1 -5.716 4.110 -3.343 0.00 0.00 +0.099 C ATOM 38 N LIG 1 -6.180 4.955 -3.989 0.00 0.00 -0.191 NA ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9