REMARK Name = BDB024840 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.426 -3.282 -0.465 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -5.114 -2.000 0.029 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -6.189 -0.993 0.209 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -7.122 -1.371 1.376 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -5.703 0.443 0.465 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -4.487 0.752 -0.377 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -3.412 -0.222 0.008 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -2.063 0.170 0.137 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -1.507 1.420 0.003 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.210 1.266 0.183 0.00 0.00 +0.113 A ATOM 11 N LIG 1 0.087 -0.052 0.462 0.00 0.00 -0.319 N ATOM 12 C LIG 1 -1.086 -0.771 0.438 0.00 0.00 +0.070 A ATOM 13 C LIG 1 -1.386 -2.119 0.637 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -2.729 -2.499 0.509 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.745 -1.585 0.190 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -4.631 -4.183 -0.704 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -7.137 -4.716 -1.214 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -6.764 -3.429 -0.716 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 1.406 -0.587 0.765 0.00 0.00 +0.219 C BRANCH 19 20 ATOM 20 C LIG 1 2.258 -0.787 -0.478 0.00 0.00 +0.235 C ATOM 21 N LIG 1 3.545 -1.237 -0.271 0.00 0.00 -0.298 N ATOM 22 C LIG 1 4.198 -1.513 1.006 0.00 0.00 +0.130 C ATOM 23 C LIG 1 5.697 -1.559 0.656 0.00 0.00 +0.092 C ATOM 24 C LIG 1 5.684 -2.113 -0.769 0.00 0.00 +0.043 C ATOM 25 C LIG 1 4.449 -1.461 -1.388 0.00 0.00 +0.110 C ATOM 26 O LIG 1 1.846 -0.558 -1.615 0.00 0.00 -0.274 OA BRANCH 23 27 ATOM 27 N LIG 1 6.311 -0.231 0.703 0.00 0.00 -0.311 N ATOM 28 H LIG 1 6.179 0.393 -0.089 0.00 0.00 +0.149 HD ATOM 29 C LIG 1 6.601 0.357 1.917 0.00 0.00 +0.210 C ATOM 30 O LIG 1 6.434 -0.212 2.994 0.00 0.00 -0.276 OA ATOM 31 C LIG 1 7.105 1.778 1.808 0.00 0.00 +0.109 C ENDBRANCH 23 27 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 32 ATOM 32 C LIG 1 0.797 2.366 0.109 0.00 0.00 +0.097 C BRANCH 32 33 ATOM 33 C LIG 1 0.594 3.217 -1.146 0.00 0.00 +0.151 C BRANCH 33 34 ATOM 34 N LIG 1 1.491 4.359 -1.155 0.00 0.00 -0.271 N ATOM 35 N LIG 1 2.821 4.176 -1.311 0.00 0.00 -0.180 NA ATOM 36 C LIG 1 3.315 5.416 -1.268 0.00 0.00 +0.134 A ATOM 37 C LIG 1 2.312 6.389 -1.084 0.00 0.00 +0.041 A ATOM 38 C LIG 1 1.138 5.675 -1.022 0.00 0.00 +0.108 A ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 10 32 TORSDOF 7