REMARK Name = BDB021411 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.565 -0.058 3.230 0.00 0.00 +0.017 C ATOM 2 C LIG 1 -0.404 -1.190 2.193 0.00 0.00 +0.007 C ATOM 3 C LIG 1 -1.167 -0.938 0.894 0.00 0.00 -0.026 A ATOM 4 C LIG 1 -0.662 -1.444 -0.313 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.366 -1.244 -1.503 0.00 0.00 +0.015 A ATOM 6 C LIG 1 -2.576 -0.542 -1.505 0.00 0.00 +0.024 A ATOM 7 C LIG 1 -3.120 -0.030 -0.320 0.00 0.00 +0.037 A ATOM 8 C LIG 1 0.603 -2.232 -0.361 0.00 0.00 +0.247 C ATOM 9 O LIG 1 0.891 -2.865 -1.374 0.00 0.00 -0.270 OA ATOM 10 N LIG 1 1.392 -2.223 0.785 0.00 0.00 -0.294 N ATOM 11 C LIG 1 -2.400 -0.248 0.867 0.00 0.00 +0.028 A ATOM 12 C LIG 1 1.103 -1.294 1.867 0.00 0.00 +0.119 C ATOM 13 C LIG 1 -0.908 -2.505 2.821 0.00 0.00 +0.017 C ENDROOT BRANCH 7 14 ATOM 14 N LIG 1 -4.362 0.684 -0.320 0.00 0.00 -0.268 N ATOM 15 C LIG 1 -4.912 1.285 -1.546 0.00 0.00 +0.082 C ATOM 16 C LIG 1 -5.120 2.791 -1.292 0.00 0.00 +0.023 C ATOM 17 C LIG 1 -6.032 2.987 -0.076 0.00 0.00 +0.014 C ATOM 18 C LIG 1 -6.455 1.620 0.471 0.00 0.00 +0.076 C ATOM 19 C LIG 1 -7.191 0.820 -0.614 0.00 0.00 +0.014 C ATOM 20 C LIG 1 -6.276 0.636 -1.833 0.00 0.00 +0.023 C ATOM 21 C LIG 1 -5.181 0.849 0.823 0.00 0.00 +0.223 C ATOM 22 O LIG 1 -4.987 0.434 1.959 0.00 0.00 -0.275 OA ENDBRANCH 7 14 BRANCH 10 23 ATOM 23 C LIG 1 2.705 -2.847 0.738 0.00 0.00 +0.141 C BRANCH 23 24 ATOM 24 C LIG 1 3.915 -1.941 0.395 0.00 0.00 +0.149 C BRANCH 24 25 ATOM 25 C LIG 1 3.856 -1.276 -1.020 0.00 0.00 +0.088 C ATOM 26 N LIG 1 2.923 -0.129 -1.134 0.00 0.00 -0.307 NA ATOM 27 H LIG 1 2.883 0.144 -2.117 0.00 0.00 +0.123 HD ATOM 28 C LIG 1 3.374 1.036 -0.366 0.00 0.00 +0.117 C ATOM 29 C LIG 1 4.827 1.391 -0.554 0.00 0.00 -0.030 A ATOM 30 C LIG 1 5.734 0.463 -1.086 0.00 0.00 -0.041 A ATOM 31 C LIG 1 7.087 0.806 -1.217 0.00 0.00 +0.004 A ATOM 32 C LIG 1 7.540 2.057 -0.799 0.00 0.00 +0.000 A ATOM 33 C LIG 1 6.646 2.975 -0.255 0.00 0.00 +0.000 A ATOM 34 C LIG 1 5.296 2.644 -0.130 0.00 0.00 +0.005 A ATOM 35 C LIG 1 5.239 -0.870 -1.588 0.00 0.00 +0.056 C ENDBRANCH 24 25 BRANCH 24 36 ATOM 36 O LIG 1 5.092 -2.765 0.518 0.00 0.00 -0.389 OA ATOM 37 H LIG 1 5.007 -3.493 -0.124 0.00 0.00 +0.210 HD ENDBRANCH 24 36 ENDBRANCH 23 24 ENDBRANCH 10 23 TORSDOF 5