REMARK Name = BDB016102 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.880 1.563 0.254 0.00 0.00 +0.131 A ATOM 2 C LIG 1 0.286 2.813 0.430 0.00 0.00 +0.043 A ATOM 3 C LIG 1 -1.096 2.815 0.431 0.00 0.00 +0.125 A ATOM 4 N LIG 1 -1.857 1.716 0.263 0.00 0.00 -0.235 NA ATOM 5 C LIG 1 -1.198 0.560 0.077 0.00 0.00 +0.162 A ATOM 6 N LIG 1 0.144 0.448 0.062 0.00 0.00 -0.212 NA ENDROOT BRANCH 2 7 ATOM 7 C LIG 1 1.010 4.053 0.620 0.00 0.00 +0.024 A ATOM 8 C LIG 1 2.045 4.501 -0.175 0.00 0.00 +0.116 A ATOM 9 N LIG 1 2.417 5.713 0.328 0.00 0.00 -0.274 N ATOM 10 C LIG 1 3.463 6.576 -0.165 0.00 0.00 +0.172 C ATOM 11 N LIG 1 1.688 6.095 1.393 0.00 0.00 -0.179 NA ATOM 12 C LIG 1 0.826 5.090 1.563 0.00 0.00 +0.143 A ENDBRANCH 2 7 BRANCH 5 13 ATOM 13 C LIG 1 -1.996 -0.669 -0.115 0.00 0.00 +0.020 A ATOM 14 C LIG 1 -3.403 -0.624 -0.211 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -4.178 -1.782 -0.395 0.00 0.00 -0.014 A ATOM 16 C LIG 1 -3.529 -3.018 -0.480 0.00 0.00 +0.008 A ATOM 17 C LIG 1 -2.141 -3.095 -0.388 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -1.386 -1.934 -0.208 0.00 0.00 +0.011 A BRANCH 15 19 ATOM 19 C LIG 1 -5.626 -1.683 -0.481 0.00 0.00 +0.020 A ATOM 20 C LIG 1 -6.448 -2.554 -1.167 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -7.722 -2.091 -1.005 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -8.931 -2.666 -1.542 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -7.796 -0.974 -0.261 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -6.522 -0.725 0.054 0.00 0.00 +0.142 A ENDBRANCH 15 19 ENDBRANCH 5 13 BRANCH 1 25 ATOM 25 N LIG 1 2.291 1.436 0.234 0.00 0.00 -0.323 N ATOM 26 H LIG 1 2.674 1.990 0.997 0.00 0.00 +0.148 HD BRANCH 25 29 ATOM 27 C LIG 1 3.931 -1.367 -0.135 0.00 0.00 +0.040 C ATOM 28 C LIG 1 2.961 -0.992 1.021 0.00 0.00 +0.051 C ATOM 29 C LIG 1 2.948 0.227 0.077 0.00 0.00 +0.039 C ATOM 30 C LIG 1 2.870 -0.765 -1.101 0.00 0.00 +0.051 C ATOM 31 C LIG 1 4.488 0.076 -0.013 0.00 0.00 +0.051 C BRANCH 27 34 ATOM 32 C LIG 1 6.273 -4.305 0.185 0.00 0.00 +0.109 C ATOM 33 C LIG 1 5.627 -2.998 0.558 0.00 0.00 +0.210 C ATOM 34 N LIG 1 4.651 -2.577 -0.319 0.00 0.00 -0.310 N ATOM 35 H LIG 1 4.456 -3.170 -1.117 0.00 0.00 +0.149 HD ATOM 36 O LIG 1 5.968 -2.364 1.552 0.00 0.00 -0.276 OA ENDBRANCH 27 34 ENDBRANCH 25 29 ENDBRANCH 1 25 TORSDOF 6