REMARK Name = BDB057962 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.944 1.450 1.772 0.00 0.00 -0.038 A ATOM 2 C LIG 1 -1.085 0.437 1.305 0.00 0.00 +0.017 A ATOM 3 C LIG 1 -0.461 -0.442 2.199 0.00 0.00 +0.037 A ATOM 4 C LIG 1 -0.703 -0.340 3.570 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -1.531 0.672 4.048 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -2.136 1.566 3.159 0.00 0.00 +0.004 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 0.416 -1.530 1.711 0.00 0.00 +0.247 C ATOM 8 N LIG 1 1.468 -1.217 0.858 0.00 0.00 -0.295 N ATOM 9 C LIG 1 2.283 -2.315 0.331 0.00 0.00 +0.127 C ATOM 10 C LIG 1 3.020 -1.949 -0.971 0.00 0.00 +0.125 C ATOM 11 N LIG 1 3.775 -0.675 -0.872 0.00 0.00 -0.311 N ATOM 12 C LIG 1 3.522 0.117 0.348 0.00 0.00 +0.125 C ATOM 13 C LIG 1 2.017 0.136 0.673 0.00 0.00 +0.127 C ATOM 14 O LIG 1 0.174 -2.674 2.089 0.00 0.00 -0.270 OA BRANCH 11 15 ATOM 15 C LIG 1 5.122 -0.736 -1.258 0.00 0.00 +0.139 A ATOM 16 C LIG 1 5.515 -1.088 -2.559 0.00 0.00 +0.092 A ATOM 17 C LIG 1 6.880 -1.133 -2.878 0.00 0.00 +0.024 A ATOM 18 C LIG 1 7.824 -0.819 -1.912 0.00 0.00 +0.021 A ATOM 19 C LIG 1 7.366 -0.461 -0.662 0.00 0.00 +0.113 A ATOM 20 N LIG 1 6.056 -0.410 -0.328 0.00 0.00 -0.239 NA BRANCH 16 21 ATOM 21 C LIG 1 4.568 -1.364 -3.596 0.00 0.00 +0.103 C ATOM 22 N LIG 1 3.831 -1.618 -4.458 0.00 0.00 -0.191 NA ENDBRANCH 16 21 ENDBRANCH 11 15 ENDBRANCH 3 7 BRANCH 1 24 ATOM 23 C LIG 1 -3.576 3.438 1.312 0.00 0.00 +0.019 C ATOM 24 C LIG 1 -2.586 2.401 0.769 0.00 0.00 +0.067 C BRANCH 24 25 ATOM 25 C LIG 1 -3.197 1.697 -0.459 0.00 0.00 +0.076 A ATOM 26 C LIG 1 -4.302 0.703 -0.333 0.00 0.00 +0.011 A ATOM 27 C LIG 1 -4.789 0.144 -1.515 0.00 0.00 +0.050 A ATOM 28 C LIG 1 -5.826 -0.799 -1.494 0.00 0.00 +0.014 A ATOM 29 C LIG 1 -6.381 -1.191 -0.278 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -5.901 -0.642 0.908 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -4.202 0.549 -2.802 0.00 0.00 +0.272 A ATOM 32 O LIG 1 -4.606 0.090 -3.864 0.00 0.00 -0.266 OA ATOM 33 N LIG 1 -3.183 1.465 -2.737 0.00 0.00 -0.242 N ATOM 34 H LIG 1 -2.765 1.754 -3.616 0.00 0.00 +0.192 HD ATOM 35 C LIG 1 -4.867 0.301 0.883 0.00 0.00 +0.010 A ATOM 36 N LIG 1 -2.689 2.036 -1.610 0.00 0.00 -0.175 NA ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 5