REMARK Name = BDB018376 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.962 -0.311 0.194 0.00 0.00 +0.025 A ATOM 2 C LIG 1 0.192 -0.644 -0.482 0.00 0.00 +0.123 A ATOM 3 N LIG 1 1.263 -0.195 0.273 0.00 0.00 -0.238 N ATOM 4 N LIG 1 0.828 0.387 1.410 0.00 0.00 -0.174 NA ATOM 5 C LIG 1 -0.502 0.329 1.355 0.00 0.00 +0.143 A ENDROOT BRANCH 1 7 ATOM 6 C LIG 1 -3.389 0.407 -0.078 0.00 0.00 +0.135 A ATOM 7 C LIG 1 -2.311 -0.585 -0.219 0.00 0.00 +0.043 A ATOM 8 C LIG 1 -2.635 -1.783 -0.748 0.00 0.00 +0.101 A ATOM 9 N LIG 1 -3.920 -2.107 -1.149 0.00 0.00 -0.317 N ATOM 10 C LIG 1 -4.165 -3.434 -1.691 0.00 0.00 +0.152 C ATOM 11 C LIG 1 -4.978 -1.218 -1.026 0.00 0.00 +0.255 A ATOM 12 O LIG 1 -6.138 -1.449 -1.352 0.00 0.00 -0.268 OA ATOM 13 C LIG 1 -4.644 0.109 -0.454 0.00 0.00 +0.116 A BRANCH 6 14 ATOM 14 O LIG 1 -2.979 1.619 0.439 0.00 0.00 -0.491 OA BRANCH 14 16 ATOM 15 C LIG 1 -3.240 3.863 1.192 0.00 0.00 +0.048 C ATOM 16 C LIG 1 -3.946 2.654 0.607 0.00 0.00 +0.226 C ENDBRANCH 14 16 ENDBRANCH 6 14 ENDBRANCH 1 7 BRANCH 3 17 ATOM 17 C LIG 1 2.656 -0.280 -0.041 0.00 0.00 +0.086 A ATOM 18 C LIG 1 3.670 0.096 0.876 0.00 0.00 +0.119 A ATOM 19 C LIG 1 5.031 0.002 0.488 0.00 0.00 +0.139 A ATOM 20 C LIG 1 5.369 -0.461 -0.787 0.00 0.00 +0.047 A ATOM 21 C LIG 1 4.372 -0.833 -1.683 0.00 0.00 +0.006 A ATOM 22 C LIG 1 3.030 -0.745 -1.317 0.00 0.00 +0.029 A BRANCH 18 23 ATOM 23 C LIG 1 3.409 0.547 2.224 0.00 0.00 +0.105 C ATOM 24 N LIG 1 3.277 0.902 3.323 0.00 0.00 -0.191 NA ENDBRANCH 18 23 BRANCH 19 25 ATOM 25 O LIG 1 5.960 0.381 1.427 0.00 0.00 -0.494 OA ATOM 26 C LIG 1 7.337 0.324 1.075 0.00 0.00 +0.277 C ENDBRANCH 19 25 ENDBRANCH 3 17 TORSDOF 6