REMARK Name = BDB024862 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.604 -3.041 0.754 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.891 -2.137 1.561 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -5.563 -1.473 2.704 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -5.844 -2.470 3.842 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -4.794 -0.290 3.313 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -4.124 0.527 2.232 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -3.170 -0.379 1.511 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.894 0.061 1.101 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -1.307 1.293 1.269 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.118 1.210 0.709 0.00 0.00 +0.113 A ATOM 11 N LIG 1 0.081 -0.045 0.169 0.00 0.00 -0.319 N ATOM 12 C LIG 1 -1.048 -0.796 0.409 0.00 0.00 +0.070 A ATOM 13 C LIG 1 -1.410 -2.106 0.094 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -2.685 -2.529 0.491 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.574 -1.693 1.183 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -5.183 -3.607 -0.250 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -7.678 -4.083 0.363 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -6.894 -3.209 1.177 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 1.229 -0.462 -0.624 0.00 0.00 +0.219 C BRANCH 19 20 ATOM 20 C LIG 1 2.464 -0.744 0.209 0.00 0.00 +0.233 C ATOM 21 N LIG 1 3.646 -0.970 -0.449 0.00 0.00 -0.313 N ATOM 22 H LIG 1 4.393 -1.224 0.187 0.00 0.00 +0.149 HD ATOM 23 O LIG 1 2.470 -0.778 1.439 0.00 0.00 -0.274 OA BRANCH 21 24 ATOM 24 C LIG 1 3.822 -1.172 -1.877 0.00 0.00 +0.115 C BRANCH 24 25 ATOM 25 C LIG 1 5.297 -0.991 -2.222 0.00 0.00 +0.030 C ATOM 26 C LIG 1 5.617 -1.514 -3.639 0.00 0.00 +0.170 C ATOM 27 O LIG 1 6.161 -2.744 -3.093 0.00 0.00 -0.378 OA ATOM 28 C LIG 1 6.223 -2.143 -1.775 0.00 0.00 +0.170 C ATOM 29 C LIG 1 5.827 0.415 -1.966 0.00 0.00 +0.017 C ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 30 ATOM 30 C LIG 1 0.871 2.325 0.636 0.00 0.00 +0.096 C BRANCH 30 31 ATOM 31 C LIG 1 0.586 3.226 -0.567 0.00 0.00 +0.132 C BRANCH 31 32 ATOM 32 N LIG 1 1.717 4.103 -0.868 0.00 0.00 -0.315 N ATOM 33 C LIG 1 2.778 3.581 -1.610 0.00 0.00 +0.251 A ATOM 34 O LIG 1 2.827 2.431 -2.044 0.00 0.00 -0.268 OA ATOM 35 C LIG 1 3.915 4.509 -1.863 0.00 0.00 +0.070 A ATOM 36 C LIG 1 3.890 5.754 -1.369 0.00 0.00 +0.007 A ATOM 37 C LIG 1 2.773 6.206 -0.581 0.00 0.00 +0.018 A ATOM 38 C LIG 1 1.739 5.388 -0.353 0.00 0.00 +0.089 A ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 10 30 TORSDOF 8