REMARK Name = BDB027728 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.502 0.096 -0.353 0.00 0.00 +0.163 A ATOM 2 N LIG 1 1.744 0.042 -1.674 0.00 0.00 -0.226 NA ATOM 3 C LIG 1 0.701 -0.204 -2.483 0.00 0.00 +0.095 A ATOM 4 C LIG 1 -0.596 -0.393 -2.011 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -1.648 -0.636 -2.922 0.00 0.00 +0.033 A ATOM 6 C LIG 1 -1.363 -0.690 -4.273 0.00 0.00 +0.111 A ATOM 7 N LIG 1 -0.124 -0.521 -4.767 0.00 0.00 -0.261 NA ATOM 8 C LIG 1 -0.744 -0.310 -0.618 0.00 0.00 +0.133 A ATOM 9 C LIG 1 0.860 -0.283 -3.859 0.00 0.00 +0.139 A ATOM 10 N LIG 1 0.294 -0.068 0.204 0.00 0.00 -0.212 NA ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 1.748 -0.967 2.518 0.00 0.00 +0.046 C ATOM 12 C LIG 1 2.765 -0.080 1.858 0.00 0.00 -0.022 A ATOM 13 C LIG 1 2.647 0.394 0.532 0.00 0.00 +0.025 A ATOM 14 C LIG 1 3.694 1.199 0.043 0.00 0.00 +0.031 A ATOM 15 C LIG 1 4.768 1.510 0.859 0.00 0.00 +0.111 A ATOM 16 N LIG 1 4.885 1.085 2.128 0.00 0.00 -0.263 NA ATOM 17 C LIG 1 3.887 0.306 2.595 0.00 0.00 +0.114 A ENDBRANCH 1 13 BRANCH 8 18 ATOM 18 N LIG 1 -2.041 -0.517 -0.047 0.00 0.00 -0.315 N ATOM 19 C LIG 1 -2.058 -1.908 0.436 0.00 0.00 +0.131 C BRANCH 18 20 ATOM 20 C LIG 1 -2.349 0.505 0.993 0.00 0.00 +0.068 C ATOM 21 C LIG 1 -3.728 0.240 1.615 0.00 0.00 +0.028 C ATOM 22 C LIG 1 -2.379 1.913 0.377 0.00 0.00 +0.028 C ENDBRANCH 18 20 ENDBRANCH 8 18 TORSDOF 3