REMARK Name = BDB025211 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.758 1.097 -0.460 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.889 0.036 -0.149 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.389 -1.361 -0.163 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.358 -1.620 1.005 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.300 -2.443 -0.097 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.099 -2.046 -0.924 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.571 -0.761 -0.357 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.186 -0.525 -0.222 0.00 0.00 +0.096 A ATOM 9 N LIG 1 0.138 -1.353 -0.524 0.00 0.00 -0.214 NA ATOM 10 C LIG 1 -0.964 -0.695 -0.238 0.00 0.00 +0.201 A ATOM 11 N LIG 1 -0.652 0.557 0.273 0.00 0.00 -0.308 N ATOM 12 C LIG 1 0.726 0.685 0.277 0.00 0.00 +0.071 A ATOM 13 C LIG 1 1.597 1.707 0.659 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.971 1.468 0.513 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.476 0.261 0.010 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.463 2.285 -0.525 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.576 1.579 0.761 0.00 0.00 +0.091 C ATOM 18 C LIG 1 -2.366 1.127 1.997 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -3.213 2.262 2.580 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -3.923 3.121 1.520 0.00 0.00 +0.098 C ATOM 21 C LIG 1 -3.888 2.497 0.123 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -2.470 2.165 -0.350 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 -3.338 4.519 1.466 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -2.166 4.822 1.605 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -4.265 5.456 1.195 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -3.761 6.297 1.170 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.942 1.699 -1.099 0.00 0.00 +0.282 C ATOM 28 O LIG 1 7.024 0.663 -0.746 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 N LIG 1 -2.246 -1.093 -0.393 0.00 0.00 -0.282 N ATOM 30 H LIG 1 -3.021 -0.458 -0.232 0.00 0.00 +0.155 HD BRANCH 29 31 ATOM 31 C LIG 1 -2.756 -2.320 -0.883 0.00 0.00 +0.076 A ATOM 32 C LIG 1 -4.162 -2.441 -1.019 0.00 0.00 +0.141 A ATOM 33 C LIG 1 -4.729 -3.629 -1.491 0.00 0.00 +0.047 A ATOM 34 C LIG 1 -3.909 -4.707 -1.831 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -2.528 -4.601 -1.698 0.00 0.00 +0.002 A ATOM 36 C LIG 1 -1.957 -3.416 -1.227 0.00 0.00 +0.027 A BRANCH 32 37 ATOM 37 O LIG 1 -4.876 -1.318 -0.654 0.00 0.00 -0.493 OA ATOM 38 C LIG 1 -6.290 -1.381 -0.797 0.00 0.00 +0.277 C ENDBRANCH 32 37 ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 7