REMARK Name = BDB026627 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.063 -0.832 0.343 0.00 0.00 +0.033 A ATOM 2 C LIG 1 1.265 -1.425 -0.629 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -0.074 -1.037 -0.784 0.00 0.00 +0.006 A ATOM 4 C LIG 1 -0.660 -0.047 0.026 0.00 0.00 -0.041 A ATOM 5 C LIG 1 0.158 0.539 1.001 0.00 0.00 +0.006 A ATOM 6 C LIG 1 1.497 0.152 1.158 0.00 0.00 +0.023 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -2.131 0.349 -0.179 0.00 0.00 -0.003 C ATOM 8 C LIG 1 -2.345 0.884 -1.626 0.00 0.00 +0.015 C ATOM 9 C LIG 1 -3.822 1.233 -1.877 0.00 0.00 -0.010 C ATOM 10 C LIG 1 -4.263 2.322 -0.890 0.00 0.00 +0.007 C ATOM 11 C LIG 1 -4.102 1.816 0.550 0.00 0.00 -0.010 C ATOM 12 C LIG 1 -4.966 0.563 0.753 0.00 0.00 +0.007 C ATOM 13 C LIG 1 -4.528 -0.535 -0.226 0.00 0.00 -0.010 C ATOM 14 C LIG 1 -4.683 -0.023 -1.668 0.00 0.00 +0.007 C ATOM 15 C LIG 1 -2.626 1.459 0.799 0.00 0.00 +0.015 C ATOM 16 C LIG 1 -3.053 -0.890 0.030 0.00 0.00 +0.015 C ENDBRANCH 4 7 BRANCH 1 19 ATOM 17 O LIG 1 3.838 -2.722 -1.102 0.00 0.00 -0.274 OA ATOM 18 C LIG 1 4.203 -2.048 -0.141 0.00 0.00 +0.237 C ATOM 19 N LIG 1 3.416 -1.159 0.574 0.00 0.00 -0.284 N ATOM 20 H LIG 1 3.861 -0.634 1.318 0.00 0.00 +0.155 HD BRANCH 18 21 ATOM 21 C LIG 1 5.613 -2.223 0.398 0.00 0.00 +0.218 C BRANCH 21 22 ATOM 22 N LIG 1 6.249 -0.981 0.789 0.00 0.00 -0.328 N ATOM 23 C LIG 1 6.573 0.049 -0.047 0.00 0.00 +0.199 A ATOM 24 N LIG 1 7.103 1.050 0.619 0.00 0.00 -0.244 NA ATOM 25 C LIG 1 7.149 0.638 1.925 0.00 0.00 +0.130 A ATOM 26 C LIG 1 6.621 -0.625 2.055 0.00 0.00 +0.107 A ENDBRANCH 21 22 ENDBRANCH 18 21 ENDBRANCH 1 19 TORSDOF 4