REMARK Name = BDB034213 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.382 0.778 -0.784 0.00 0.00 -0.487 OA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.825 0.506 -0.201 0.00 0.00 +0.121 A ATOM 3 C LIG 1 1.983 0.553 -0.983 0.00 0.00 +0.051 A ATOM 4 C LIG 1 3.191 0.303 -0.358 0.00 0.00 -0.015 A ATOM 5 C LIG 1 4.573 0.302 -0.917 0.00 0.00 +0.144 C ATOM 6 N LIG 1 5.380 -0.120 0.220 0.00 0.00 -0.282 N ATOM 7 C LIG 1 4.633 -0.182 1.389 0.00 0.00 +0.248 C ATOM 8 O LIG 1 5.023 -0.365 2.525 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 3.232 0.033 1.010 0.00 0.00 +0.042 A ATOM 10 C LIG 1 2.101 0.009 1.804 0.00 0.00 +0.017 A ATOM 11 C LIG 1 0.877 0.258 1.181 0.00 0.00 +0.046 A BRANCH 6 12 ATOM 12 C LIG 1 6.837 -0.061 0.178 0.00 0.00 +0.163 C ATOM 13 C LIG 1 7.353 1.321 0.607 0.00 0.00 +0.240 C ATOM 14 O LIG 1 6.734 2.367 0.414 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 8.628 1.355 1.123 0.00 0.00 -0.255 N ATOM 16 H LIG 1 8.979 2.270 1.371 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 9.521 0.319 1.232 0.00 0.00 +0.219 C ATOM 18 O LIG 1 10.683 0.519 1.575 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 9.028 -1.048 0.821 0.00 0.00 +0.098 C ATOM 20 C LIG 1 7.521 -1.164 0.986 0.00 0.00 +0.041 C ENDBRANCH 6 12 ENDBRANCH 1 2 BRANCH 1 22 ATOM 21 C LIG 1 -2.122 -0.980 -0.362 0.00 0.00 +0.097 C ATOM 22 C LIG 1 -0.999 -0.415 -1.306 0.00 0.00 +0.190 C ATOM 23 C LIG 1 -1.552 -0.081 -2.693 0.00 0.00 +0.046 C ATOM 24 C LIG 1 -2.118 -1.313 -3.397 0.00 0.00 +0.004 C ATOM 25 C LIG 1 -2.572 -2.409 -2.433 0.00 0.00 +0.002 C ATOM 26 C LIG 1 -3.160 -1.820 -1.155 0.00 0.00 +0.022 C BRANCH 21 29 ATOM 27 C LIG 1 -4.363 0.978 1.319 0.00 0.00 +0.047 C ATOM 28 C LIG 1 -3.767 -0.456 1.438 0.00 0.00 +0.094 C ATOM 29 N LIG 1 -2.647 0.009 0.599 0.00 0.00 -0.295 NA ATOM 30 C LIG 1 -3.503 1.061 0.023 0.00 0.00 +0.094 C BRANCH 27 33 ATOM 31 C LIG 1 -8.132 0.614 0.241 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -6.742 0.439 0.315 0.00 0.00 +0.022 A ATOM 33 C LIG 1 -5.940 1.164 1.221 0.00 0.00 -0.041 A ATOM 34 C LIG 1 -6.617 2.080 2.051 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -8.002 2.265 1.988 0.00 0.00 +0.002 A ATOM 36 C LIG 1 -8.761 1.531 1.082 0.00 0.00 +0.019 A BRANCH 31 38 ATOM 37 N LIG 1 -9.518 -0.770 -1.460 0.00 0.00 -0.191 NA ATOM 38 C LIG 1 -8.901 -0.149 -0.698 0.00 0.00 +0.099 C ENDBRANCH 31 38 ENDBRANCH 27 33 ENDBRANCH 21 29 ENDBRANCH 1 22 TORSDOF 6