REMARK Name = BDB018395 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.117 -0.608 1.442 0.00 0.00 -0.264 N ATOM 2 N LIG 1 -1.996 -1.868 1.915 0.00 0.00 -0.178 NA ATOM 3 C LIG 1 -0.771 -2.235 1.529 0.00 0.00 +0.143 A ATOM 4 C LIG 1 -0.094 -1.218 0.820 0.00 0.00 +0.021 A ATOM 5 C LIG 1 -0.992 -0.173 0.790 0.00 0.00 +0.117 A ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 1.220 -1.241 0.245 0.00 0.00 +0.003 A ATOM 7 C LIG 1 1.766 -2.371 -0.235 0.00 0.00 +0.097 A ATOM 8 N LIG 1 3.029 -2.409 -0.791 0.00 0.00 -0.316 N ATOM 9 C LIG 1 3.538 -3.692 -1.255 0.00 0.00 +0.152 C ATOM 10 C LIG 1 3.857 -1.286 -0.866 0.00 0.00 +0.272 A ATOM 11 O LIG 1 5.007 -1.354 -1.302 0.00 0.00 -0.266 OA ATOM 12 C LIG 1 3.262 0.042 -0.359 0.00 0.00 +0.095 A ATOM 13 C LIG 1 2.018 -0.028 0.156 0.00 0.00 +0.038 A BRANCH 12 14 ATOM 14 N LIG 1 4.012 1.240 -0.435 0.00 0.00 -0.332 N ATOM 15 C LIG 1 5.208 1.366 -1.270 0.00 0.00 +0.129 C ATOM 16 C LIG 1 3.659 2.442 0.318 0.00 0.00 +0.129 C ENDBRANCH 12 14 ENDBRANCH 4 6 BRANCH 1 18 ATOM 17 C LIG 1 -3.119 1.198 2.784 0.00 0.00 +0.038 C ATOM 18 C LIG 1 -3.352 0.147 1.694 0.00 0.00 +0.134 C BRANCH 18 19 ATOM 19 C LIG 1 -3.949 0.659 0.388 0.00 0.00 -0.023 A ATOM 20 C LIG 1 -3.911 2.009 0.005 0.00 0.00 +0.006 A ATOM 21 C LIG 1 -4.465 2.422 -1.209 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -5.063 1.496 -2.060 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -5.106 0.152 -1.699 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -4.554 -0.263 -0.487 0.00 0.00 +0.006 A ENDBRANCH 18 19 ENDBRANCH 1 18 TORSDOF 4