REMARK Name = BDB004971 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.720 -1.942 2.104 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -1.778 -1.119 2.516 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -2.991 -1.661 2.976 0.00 0.00 -0.029 A ATOM 4 C LIG 1 -3.123 -3.054 3.035 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -2.075 -3.880 2.630 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -0.879 -3.326 2.165 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 1.639 -1.898 1.264 0.00 0.00 +0.250 C ATOM 8 N LIG 1 0.446 -1.302 1.630 0.00 0.00 -0.281 N ATOM 9 H LIG 1 0.405 -0.292 1.618 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 1.933 -3.082 1.378 0.00 0.00 -0.270 OA BRANCH 7 14 ATOM 11 C LIG 1 4.725 0.621 -0.221 0.00 0.00 +0.119 A ATOM 12 N LIG 1 5.027 -0.500 0.462 0.00 0.00 -0.240 NA ATOM 13 C LIG 1 4.005 -1.275 0.908 0.00 0.00 +0.126 A ATOM 14 C LIG 1 2.665 -0.974 0.721 0.00 0.00 +0.055 A ATOM 15 C LIG 1 2.359 0.174 -0.005 0.00 0.00 +0.018 A ATOM 16 C LIG 1 3.401 0.976 -0.477 0.00 0.00 +0.044 A BRANCH 11 17 ATOM 17 N LIG 1 5.737 1.443 -0.741 0.00 0.00 -0.329 N ATOM 18 H LIG 1 5.564 2.399 -0.444 0.00 0.00 +0.147 HD BRANCH 17 19 ATOM 19 C LIG 1 7.112 1.032 -0.457 0.00 0.00 +0.106 C BRANCH 19 21 ATOM 20 C LIG 1 8.981 -0.555 -1.006 0.00 0.00 +0.009 C ATOM 21 C LIG 1 7.599 -0.057 -1.431 0.00 0.00 -0.000 C ATOM 22 C LIG 1 7.653 0.461 -2.872 0.00 0.00 +0.009 C ENDBRANCH 19 21 ENDBRANCH 17 19 ENDBRANCH 11 17 ENDBRANCH 7 14 ENDBRANCH 1 8 BRANCH 3 23 ATOM 23 C LIG 1 -4.119 -0.775 3.458 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 N LIG 1 -4.284 0.429 2.642 0.00 0.00 -0.324 N ATOM 25 H LIG 1 -4.783 1.145 3.163 0.00 0.00 +0.148 HD BRANCH 24 26 ATOM 26 C LIG 1 -4.949 0.259 1.405 0.00 0.00 +0.130 A ATOM 27 C LIG 1 -5.075 1.364 0.536 0.00 0.00 +0.041 A ATOM 28 C LIG 1 -5.757 1.140 -0.676 0.00 0.00 +0.088 A ATOM 29 C LIG 1 -5.899 2.235 -1.555 0.00 0.00 +0.063 A ATOM 30 C LIG 1 -5.371 3.503 -1.238 0.00 0.00 +0.015 A ATOM 31 C LIG 1 -4.690 3.707 -0.050 0.00 0.00 +0.002 A ATOM 32 N LIG 1 -6.244 -0.086 -0.968 0.00 0.00 -0.235 NA ATOM 33 C LIG 1 -6.052 -1.067 -0.077 0.00 0.00 +0.223 A ATOM 34 C LIG 1 -4.541 2.644 0.830 0.00 0.00 +0.013 A ATOM 35 N LIG 1 -5.438 -0.950 1.097 0.00 0.00 -0.220 NA BRANCH 29 36 ATOM 36 C LIG 1 -6.604 2.145 -2.872 0.00 0.00 +0.244 C ATOM 37 O LIG 1 -6.705 3.117 -3.613 0.00 0.00 -0.270 OA ATOM 38 N LIG 1 -7.145 0.950 -3.241 0.00 0.00 -0.325 N ATOM 39 H LIG 1 -7.045 0.128 -2.651 0.00 0.00 +0.145 HD ATOM 40 H LIG 1 -7.596 0.871 -4.141 0.00 0.00 +0.145 HD ENDBRANCH 29 36 ENDBRANCH 24 26 ENDBRANCH 23 24 ENDBRANCH 3 23 TORSDOF 9