REMARK Name = BDB025183 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -6.213 0.346 0.754 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.985 0.994 0.526 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -4.970 2.466 0.407 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -4.826 3.128 1.783 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -3.926 2.947 -0.596 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -2.545 2.486 -0.188 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -2.530 1.017 0.126 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.294 0.326 0.102 0.00 0.00 +0.098 A ATOM 9 N LIG 1 -0.043 0.816 -0.193 0.00 0.00 -0.195 NA ATOM 10 C LIG 1 0.766 -0.210 -0.084 0.00 0.00 +0.299 A ATOM 11 N LIG 1 0.099 -1.354 0.276 0.00 0.00 -0.291 N ATOM 12 C LIG 1 -1.236 -1.029 0.402 0.00 0.00 +0.072 A ATOM 13 C LIG 1 -2.371 -1.758 0.741 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -3.591 -1.065 0.773 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.710 0.304 0.473 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -6.413 -0.863 0.784 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 0.689 -2.674 0.472 0.00 0.00 +0.092 C ATOM 18 C LIG 1 1.755 -2.708 1.588 0.00 0.00 +0.026 C ATOM 19 C LIG 1 3.160 -3.034 1.078 0.00 0.00 +0.017 C ATOM 20 C LIG 1 3.220 -4.324 0.243 0.00 0.00 +0.098 C ATOM 21 C LIG 1 1.966 -4.561 -0.609 0.00 0.00 +0.017 C ATOM 22 C LIG 1 1.176 -3.281 -0.854 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 3.463 -5.539 1.126 0.00 0.00 +0.308 C ATOM 24 O LIG 1 3.140 -5.623 2.300 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 4.054 -6.561 0.467 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 4.253 -6.376 -0.470 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 -8.514 0.632 1.178 0.00 0.00 +0.282 C ATOM 28 O LIG 1 -7.239 1.234 0.942 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 O LIG 1 2.079 -0.183 -0.292 0.00 0.00 -0.463 OA BRANCH 29 30 ATOM 30 C LIG 1 2.600 1.107 -0.626 0.00 0.00 +0.237 C BRANCH 30 31 ATOM 31 C LIG 1 4.108 0.965 -0.820 0.00 0.00 +0.076 C BRANCH 31 32 ATOM 32 C LIG 1 4.767 2.271 -1.176 0.00 0.00 -0.044 A ATOM 33 C LIG 1 4.873 2.671 -2.515 0.00 0.00 +0.004 A ATOM 34 C LIG 1 5.468 3.891 -2.842 0.00 0.00 +0.000 A ATOM 35 C LIG 1 5.957 4.722 -1.837 0.00 0.00 +0.000 A ATOM 36 C LIG 1 5.850 4.336 -0.502 0.00 0.00 +0.000 A ATOM 37 C LIG 1 5.256 3.117 -0.172 0.00 0.00 +0.004 A ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 8