REMARK Name = BDB025012 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.668 1.480 -0.262 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.807 0.369 -0.327 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.398 -0.980 -0.447 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.731 -1.559 0.933 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.531 -1.911 -1.288 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.153 -2.045 -0.682 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.561 -0.699 -0.373 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.157 -0.589 -0.223 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.205 -1.571 -0.332 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 -0.960 -0.983 -0.140 0.00 0.00 +0.140 A ATOM 11 N LIG 1 -0.785 0.358 0.152 0.00 0.00 -0.322 N ATOM 12 C LIG 1 0.567 0.630 0.076 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.326 1.786 0.240 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.717 1.671 0.101 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.364 0.461 -0.202 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.345 2.662 -0.239 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.838 1.301 0.528 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -1.684 1.817 1.965 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -2.893 2.655 2.392 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -3.462 3.540 1.272 0.00 0.00 +0.098 C ATOM 21 C LIG 1 -2.449 3.759 0.143 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -2.015 2.438 -0.496 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 -3.932 4.864 1.835 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -3.466 5.967 1.614 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -4.992 4.720 2.656 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -5.197 5.635 2.943 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.910 2.201 -0.172 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.987 1.112 -0.235 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.292 -1.677 -0.172 0.00 0.00 +0.184 C BRANCH 29 30 ATOM 30 O LIG 1 -2.678 -1.831 1.198 0.00 0.00 -0.384 OA ATOM 31 H LIG 1 -1.967 -2.352 1.617 0.00 0.00 +0.210 HD ENDBRANCH 29 30 BRANCH 29 32 ATOM 32 C LIG 1 -2.219 -3.045 -0.873 0.00 0.00 +0.074 C BRANCH 32 33 ATOM 33 C LIG 1 -3.586 -3.570 -1.261 0.00 0.00 -0.044 A ATOM 34 C LIG 1 -4.447 -4.107 -0.294 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -5.710 -4.579 -0.654 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -6.125 -4.519 -1.983 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -5.278 -3.986 -2.953 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -4.015 -3.513 -2.594 0.00 0.00 +0.004 A ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 10 29 TORSDOF 8