REMARK Name = BDB057883 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.641 0.543 0.064 0.00 0.00 -0.179 NA ATOM 2 C LIG 1 -0.624 0.279 0.254 0.00 0.00 +0.114 C ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 -1.564 1.408 0.573 0.00 0.00 +0.091 A ATOM 4 N LIG 1 -1.222 2.619 0.063 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 -2.042 3.655 0.332 0.00 0.00 +0.111 A ATOM 6 C LIG 1 -3.197 3.547 1.087 0.00 0.00 +0.020 A ATOM 7 C LIG 1 -3.532 2.300 1.603 0.00 0.00 +0.004 A ATOM 8 C LIG 1 -2.705 1.209 1.346 0.00 0.00 +0.030 A ENDBRANCH 2 3 BRANCH 2 9 ATOM 9 C LIG 1 -1.205 -1.089 0.181 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -2.143 -1.389 -0.812 0.00 0.00 +0.010 A ATOM 11 C LIG 1 -2.692 -2.670 -0.871 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -2.303 -3.641 0.054 0.00 0.00 +0.000 A ATOM 13 C LIG 1 -1.361 -3.337 1.040 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -0.809 -2.059 1.106 0.00 0.00 +0.010 A ENDBRANCH 2 9 BRANCH 1 15 ATOM 15 N LIG 1 1.473 -0.480 -0.273 0.00 0.00 -0.220 N ATOM 16 H LIG 1 1.137 -1.276 -0.812 0.00 0.00 +0.176 HD BRANCH 15 21 ATOM 17 CL LIG 1 7.009 0.533 -1.952 0.00 0.00 -0.082 Cl ATOM 18 C LIG 1 5.391 0.286 -1.438 0.00 0.00 +0.059 A ATOM 19 C LIG 1 4.683 -0.841 -1.823 0.00 0.00 +0.133 A ATOM 20 N LIG 1 3.404 -1.098 -1.453 0.00 0.00 -0.237 NA ATOM 21 C LIG 1 2.788 -0.186 -0.665 0.00 0.00 +0.138 A ATOM 22 C LIG 1 3.440 0.967 -0.228 0.00 0.00 +0.046 A ATOM 23 C LIG 1 4.756 1.209 -0.622 0.00 0.00 +0.025 A ENDBRANCH 15 21 ENDBRANCH 1 15 TORSDOF 4