REMARK Name = BDB016692 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.550 1.562 -1.926 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -2.532 0.168 -2.121 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -1.387 -0.549 -1.754 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -0.253 0.050 -1.222 0.00 0.00 +0.027 A ATOM 5 C LIG 1 0.661 -1.025 -0.996 0.00 0.00 +0.093 A ATOM 6 N LIG 1 0.127 -2.202 -1.360 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -0.255 1.446 -1.046 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -1.097 -1.883 -1.807 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -1.694 -2.630 -2.139 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -1.399 2.176 -1.405 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -5.285 -0.151 1.457 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -4.703 0.783 0.588 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -5.412 1.219 -0.522 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -5.109 2.189 -1.629 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -3.767 2.372 -2.310 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -6.372 2.204 -2.459 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -7.252 1.309 -1.875 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -8.177 1.141 -2.240 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -6.555 2.883 -3.455 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -4.315 3.440 -1.384 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -6.707 0.724 -0.731 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -7.313 -0.193 0.102 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -6.584 -0.635 1.210 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -5.006 -1.478 3.415 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -4.488 -0.511 2.510 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 1.980 -0.875 -0.452 0.00 0.00 +0.031 C ATOM 27 C LIG 1 2.836 -1.887 -0.228 0.00 0.00 +0.010 C BRANCH 27 28 ATOM 28 C LIG 1 4.179 -1.717 0.339 0.00 0.00 -0.025 A ATOM 29 C LIG 1 5.036 -0.686 -0.069 0.00 0.00 +0.013 A ATOM 30 C LIG 1 6.329 -0.565 0.466 0.00 0.00 -0.030 A ATOM 31 C LIG 1 7.212 0.585 0.037 0.00 0.00 +0.116 C ATOM 32 N LIG 1 8.639 0.364 0.311 0.00 0.00 -0.312 NA ATOM 33 H LIG 1 8.953 -0.404 -0.283 0.00 0.00 +0.122 HD ATOM 34 C LIG 1 8.811 -0.028 1.715 0.00 0.00 +0.086 C ATOM 35 C LIG 1 8.154 -1.382 2.011 0.00 0.00 +0.050 C ATOM 36 C LIG 1 6.761 -1.483 1.440 0.00 0.00 -0.042 A ATOM 37 C LIG 1 5.916 -2.528 1.830 0.00 0.00 +0.004 A ATOM 38 C LIG 1 4.638 -2.645 1.280 0.00 0.00 +0.008 A ENDBRANCH 27 28 ENDBRANCH 5 26 TORSDOF 4