REMARK Name = BDB024764 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.618 -2.636 -0.274 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -5.042 -1.354 -0.328 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -5.927 -0.186 -0.520 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -6.467 0.321 0.823 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -5.257 0.910 -1.342 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -3.988 1.379 -0.670 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -3.113 0.218 -0.291 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.735 0.446 -0.066 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -1.027 1.623 -0.152 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.223 1.324 0.135 0.00 0.00 +0.113 A ATOM 11 N LIG 1 0.344 -0.018 0.423 0.00 0.00 -0.326 N ATOM 12 C LIG 1 -0.897 -0.598 0.296 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -1.361 -1.899 0.458 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -2.731 -2.117 0.245 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.627 -1.098 -0.126 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -5.027 -3.707 -0.196 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -7.629 -3.867 -0.280 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -6.986 -2.592 -0.328 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 1.564 -0.710 0.804 0.00 0.00 +0.138 C BRANCH 19 20 ATOM 20 C LIG 1 2.297 -1.284 -0.416 0.00 0.00 +0.103 C BRANCH 20 21 ATOM 21 N LIG 1 3.577 -1.926 -0.099 0.00 0.00 -0.310 NA ATOM 22 H LIG 1 3.496 -2.517 0.728 0.00 0.00 +0.122 HD BRANCH 21 23 ATOM 23 C LIG 1 4.663 -0.962 0.087 0.00 0.00 +0.118 C BRANCH 23 24 ATOM 24 C LIG 1 5.961 -1.654 0.407 0.00 0.00 -0.015 A ATOM 25 C LIG 1 6.713 -1.292 1.521 0.00 0.00 +0.115 A ATOM 26 N LIG 1 7.893 -1.859 1.861 0.00 0.00 -0.263 NA ATOM 27 C LIG 1 8.357 -2.830 1.046 0.00 0.00 +0.111 A ATOM 28 C LIG 1 7.696 -3.259 -0.093 0.00 0.00 +0.020 A ATOM 29 C LIG 1 6.483 -2.658 -0.416 0.00 0.00 +0.008 A ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 30 ATOM 30 C LIG 1 1.360 2.294 0.167 0.00 0.00 +0.097 C BRANCH 30 31 ATOM 31 C LIG 1 1.112 3.486 -0.750 0.00 0.00 +0.151 C BRANCH 31 32 ATOM 32 N LIG 1 2.208 4.437 -0.695 0.00 0.00 -0.271 N ATOM 33 N LIG 1 3.448 4.054 -1.061 0.00 0.00 -0.180 NA ATOM 34 C LIG 1 4.181 5.158 -0.893 0.00 0.00 +0.134 A ATOM 35 C LIG 1 3.420 6.238 -0.411 0.00 0.00 +0.041 A ATOM 36 C LIG 1 2.144 5.739 -0.289 0.00 0.00 +0.108 A ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 10 30 TORSDOF 9