REMARK Name = BDB064469 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 1.388 2.377 -0.234 0.00 0.00 -0.270 OA ATOM 2 C LIG 1 0.747 1.641 -0.977 0.00 0.00 +0.246 C ATOM 3 N LIG 1 -0.603 1.486 -0.831 0.00 0.00 -0.282 N ATOM 4 H LIG 1 -1.003 2.180 -0.216 0.00 0.00 +0.151 HD ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 -1.534 0.951 -1.803 0.00 0.00 +0.279 C ATOM 6 C LIG 1 -1.433 -0.560 -2.136 0.00 0.00 +0.260 C ATOM 7 O LIG 1 -1.254 -0.969 -3.287 0.00 0.00 -0.271 OA ATOM 8 N LIG 1 -1.521 -1.479 -1.125 0.00 0.00 -0.282 N ATOM 9 H LIG 1 -1.230 -2.406 -1.410 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 -1.847 -1.244 0.215 0.00 0.00 +0.043 A ATOM 11 C LIG 1 -2.629 -0.170 0.664 0.00 0.00 +0.022 A ATOM 12 C LIG 1 -2.807 0.023 2.045 0.00 0.00 +0.012 A ATOM 13 C LIG 1 -2.271 -0.880 2.964 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -1.565 -1.989 2.512 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -3.369 0.733 -0.274 0.00 0.00 +0.077 C ATOM 16 C LIG 1 -1.360 -2.174 1.144 0.00 0.00 +0.024 A ATOM 17 N LIG 1 -2.886 1.253 -1.351 0.00 0.00 -0.251 NA BRANCH 15 18 ATOM 18 C LIG 1 -4.792 1.075 0.050 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -5.251 2.376 -0.193 0.00 0.00 +0.010 A ATOM 20 C LIG 1 -6.574 2.715 0.097 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -7.442 1.756 0.617 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -6.994 0.454 0.842 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -5.672 0.109 0.554 0.00 0.00 +0.010 A ENDBRANCH 15 18 ENDBRANCH 3 5 BRANCH 2 24 ATOM 24 C LIG 1 1.455 0.846 -1.992 0.00 0.00 +0.041 A ATOM 25 C LIG 1 2.101 -0.352 -1.639 0.00 0.00 -0.021 A ATOM 26 C LIG 1 2.782 -1.056 -2.647 0.00 0.00 +0.005 A ATOM 27 C LIG 1 2.821 -0.572 -3.957 0.00 0.00 +0.000 A ATOM 28 C LIG 1 2.188 0.626 -4.283 0.00 0.00 +0.001 A ATOM 29 C LIG 1 1.510 1.343 -3.300 0.00 0.00 +0.013 A BRANCH 25 30 ATOM 30 C LIG 1 2.088 -0.900 -0.228 0.00 0.00 +0.120 C BRANCH 30 31 ATOM 31 N LIG 1 3.430 -0.977 0.378 0.00 0.00 -0.291 NA ATOM 32 C LIG 1 3.960 0.384 0.641 0.00 0.00 +0.141 C ATOM 33 C LIG 1 5.223 0.321 1.411 0.00 0.00 +0.073 A ATOM 34 N LIG 1 5.558 -0.779 2.139 0.00 0.00 -0.246 N ATOM 35 N LIG 1 6.720 -0.624 2.787 0.00 0.00 -0.065 NA ATOM 36 N LIG 1 7.170 0.590 2.486 0.00 0.00 -0.138 NA ATOM 37 C LIG 1 4.794 -2.000 2.191 0.00 0.00 +0.161 C ATOM 38 C LIG 1 6.267 1.184 1.642 0.00 0.00 +0.160 A ATOM 39 C LIG 1 3.387 -1.762 1.631 0.00 0.00 +0.108 C ENDBRANCH 30 31 ENDBRANCH 25 30 ENDBRANCH 2 24 TORSDOF 5