REMARK Name = BDB057788 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.550 -0.248 1.705 0.00 0.00 +0.007 A ATOM 2 C LIG 1 3.250 0.631 0.876 0.00 0.00 -0.033 A ATOM 3 C LIG 1 2.542 1.303 -0.124 0.00 0.00 +0.007 A ATOM 4 C LIG 1 1.166 1.098 -0.292 0.00 0.00 +0.023 A ATOM 5 C LIG 1 0.444 0.226 0.536 0.00 0.00 +0.030 A ATOM 6 C LIG 1 1.174 -0.444 1.532 0.00 0.00 +0.023 A ENDROOT BRANCH 5 7 ATOM 7 N LIG 1 -0.933 -0.006 0.391 0.00 0.00 -0.330 N ATOM 8 C LIG 1 -1.610 0.446 -0.823 0.00 0.00 +0.106 C ATOM 9 C LIG 1 -2.914 -0.326 -1.037 0.00 0.00 +0.038 C ATOM 10 C LIG 1 -3.687 -0.602 0.268 0.00 0.00 +0.060 C ATOM 11 C LIG 1 -3.194 0.307 1.398 0.00 0.00 +0.038 C ATOM 12 C LIG 1 -1.704 0.073 1.646 0.00 0.00 +0.106 C BRANCH 10 13 ATOM 13 N LIG 1 -5.154 -0.587 0.157 0.00 0.00 -0.299 NA ATOM 14 C LIG 1 -5.702 -1.532 -0.812 0.00 0.00 +0.085 C ATOM 15 C LIG 1 -7.173 -1.159 -0.808 0.00 0.00 +0.017 C ATOM 16 C LIG 1 -7.179 0.351 -0.610 0.00 0.00 +0.017 C ATOM 17 C LIG 1 -5.777 0.704 -0.123 0.00 0.00 +0.085 C ENDBRANCH 10 13 ENDBRANCH 5 7 BRANCH 2 18 ATOM 18 C LIG 1 4.734 0.860 1.062 0.00 0.00 +0.119 C BRANCH 18 19 ATOM 19 N LIG 1 5.520 0.551 -0.137 0.00 0.00 -0.298 NA ATOM 20 C LIG 1 6.931 0.901 0.030 0.00 0.00 +0.085 C ATOM 21 C LIG 1 7.598 0.184 -1.133 0.00 0.00 +0.017 C ATOM 22 C LIG 1 6.690 -1.002 -1.440 0.00 0.00 +0.017 C ATOM 23 C LIG 1 5.524 -0.875 -0.470 0.00 0.00 +0.085 C ENDBRANCH 18 19 ENDBRANCH 2 18 TORSDOF 4