REMARK Name = BDB025156 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.665 1.032 -0.885 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.820 -0.090 -0.950 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.335 -1.377 -1.482 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.351 -2.014 -0.516 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.261 -2.436 -1.775 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.026 -1.798 -2.367 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.504 -0.813 -1.363 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.123 -0.673 -1.111 0.00 0.00 +0.096 A ATOM 9 N LIG 1 0.074 -1.377 -1.647 0.00 0.00 -0.214 NA ATOM 10 C LIG 1 -1.012 -0.920 -1.060 0.00 0.00 +0.204 A ATOM 11 N LIG 1 -0.708 0.159 -0.245 0.00 0.00 -0.308 N ATOM 12 C LIG 1 0.668 0.279 -0.206 0.00 0.00 +0.071 A ATOM 13 C LIG 1 1.543 1.108 0.497 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.913 0.962 0.240 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.411 0.030 -0.681 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.353 2.157 -0.508 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.676 1.056 0.383 0.00 0.00 +0.091 C ATOM 18 C LIG 1 -1.544 2.505 -0.110 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -2.635 3.381 0.500 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -2.687 3.309 2.032 0.00 0.00 +0.098 C ATOM 21 C LIG 1 -1.720 2.284 2.640 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -1.696 0.936 1.917 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 -4.110 3.063 2.489 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -4.607 2.001 2.822 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -4.851 4.188 2.471 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -5.736 3.901 2.782 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.820 1.873 -1.320 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.926 0.760 -1.343 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 N LIG 1 -2.292 -1.376 -1.209 0.00 0.00 -0.271 N ATOM 30 C LIG 1 -2.503 -2.226 -2.390 0.00 0.00 +0.138 C BRANCH 29 31 ATOM 31 C LIG 1 -2.976 -1.967 -0.091 0.00 0.00 +0.078 A ATOM 32 C LIG 1 -4.365 -1.781 0.080 0.00 0.00 +0.141 A ATOM 33 C LIG 1 -5.032 -2.369 1.161 0.00 0.00 +0.047 A ATOM 34 C LIG 1 -4.322 -3.114 2.102 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -2.947 -3.286 1.961 0.00 0.00 +0.002 A ATOM 36 C LIG 1 -2.280 -2.721 0.873 0.00 0.00 +0.027 A BRANCH 32 37 ATOM 37 O LIG 1 -5.034 -1.036 -0.862 0.00 0.00 -0.493 OA ATOM 38 C LIG 1 -5.895 -0.052 -0.293 0.00 0.00 +0.277 C ENDBRANCH 32 37 ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 7