REMARK Name = BDB027723 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.596 -0.442 0.381 0.00 0.00 +0.133 A ATOM 2 C LIG 1 -0.610 -1.844 0.448 0.00 0.00 +0.043 A ATOM 3 C LIG 1 0.594 -2.466 0.128 0.00 0.00 +0.095 A ATOM 4 C LIG 1 0.593 -3.852 0.191 0.00 0.00 +0.139 A ATOM 5 N LIG 1 -0.463 -4.638 0.532 0.00 0.00 -0.261 NA ATOM 6 C LIG 1 -1.608 -4.000 0.834 0.00 0.00 +0.111 A ATOM 7 N LIG 1 1.697 -1.785 -0.221 0.00 0.00 -0.226 NA ATOM 8 C LIG 1 1.607 -0.444 -0.269 0.00 0.00 +0.163 A ATOM 9 C LIG 1 -1.732 -2.625 0.806 0.00 0.00 +0.033 A ATOM 10 N LIG 1 0.501 0.253 0.027 0.00 0.00 -0.212 NA ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 2.830 0.301 -0.631 0.00 0.00 +0.025 A ATOM 12 C LIG 1 2.827 1.537 -1.316 0.00 0.00 -0.022 A ATOM 13 C LIG 1 1.576 2.228 -1.778 0.00 0.00 +0.046 C ATOM 14 C LIG 1 4.056 2.150 -1.567 0.00 0.00 +0.114 A ATOM 15 N LIG 1 5.257 1.639 -1.223 0.00 0.00 -0.263 NA ATOM 16 C LIG 1 5.244 0.453 -0.593 0.00 0.00 +0.111 A ATOM 17 C LIG 1 4.084 -0.236 -0.283 0.00 0.00 +0.031 A ENDBRANCH 8 11 BRANCH 1 18 ATOM 18 N LIG 1 -1.796 0.276 0.700 0.00 0.00 -0.312 N BRANCH 18 19 ATOM 19 C LIG 1 -2.247 1.059 -0.493 0.00 0.00 +0.069 C ATOM 20 C LIG 1 -3.592 1.746 -0.208 0.00 0.00 +0.028 C ATOM 21 C LIG 1 -2.452 0.157 -1.724 0.00 0.00 +0.028 C ENDBRANCH 18 19 BRANCH 18 23 ATOM 22 C LIG 1 -1.284 0.272 3.150 0.00 0.00 +0.024 C ATOM 23 C LIG 1 -1.520 1.112 1.898 0.00 0.00 +0.103 C ENDBRANCH 18 23 ENDBRANCH 1 18 TORSDOF 4