REMARK Name = BDB018833 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.711 0.441 -0.068 0.00 0.00 +0.241 C ATOM 2 N LIG 1 -0.999 -0.432 -0.881 0.00 0.00 -0.269 N ATOM 3 C LIG 1 0.399 -0.623 -0.855 0.00 0.00 +0.040 A ATOM 4 C LIG 1 0.769 -1.594 -1.786 0.00 0.00 -0.024 A ATOM 5 C LIG 1 2.093 -1.962 -1.955 0.00 0.00 +0.006 A ATOM 6 C LIG 1 3.062 -1.329 -1.173 0.00 0.00 +0.009 A ATOM 7 C LIG 1 2.716 -0.341 -0.224 0.00 0.00 -0.016 A ATOM 8 C LIG 1 -0.423 -2.174 -2.472 0.00 0.00 +0.056 C ATOM 9 C LIG 1 1.358 0.005 -0.074 0.00 0.00 +0.032 A ATOM 10 C LIG 1 -1.545 -1.254 -1.980 0.00 0.00 +0.118 C ATOM 11 O LIG 1 -1.196 1.128 0.817 0.00 0.00 -0.273 OA ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 3.755 0.310 0.596 0.00 0.00 -0.018 A ATOM 13 C LIG 1 4.894 0.883 0.005 0.00 0.00 +0.008 A ATOM 14 C LIG 1 5.879 1.498 0.783 0.00 0.00 +0.001 A ATOM 15 C LIG 1 5.742 1.551 2.167 0.00 0.00 +0.000 A ATOM 16 C LIG 1 4.621 0.991 2.774 0.00 0.00 +0.001 A ATOM 17 C LIG 1 3.637 0.377 1.995 0.00 0.00 +0.008 A ENDBRANCH 7 12 BRANCH 1 19 ATOM 18 N LIG 1 -3.995 -0.496 0.553 0.00 0.00 -0.258 N ATOM 19 C LIG 1 -3.233 0.492 -0.295 0.00 0.00 +0.170 C ATOM 20 C LIG 1 -3.826 1.856 0.092 0.00 0.00 +0.034 C ATOM 21 C LIG 1 -5.246 1.520 0.499 0.00 0.00 +0.022 C ATOM 22 C LIG 1 -5.064 0.234 1.284 0.00 0.00 +0.117 C BRANCH 18 24 ATOM 23 N LIG 1 -3.179 -2.765 1.195 0.00 0.00 -0.174 NA ATOM 24 C LIG 1 -3.553 -1.707 0.914 0.00 0.00 +0.170 C ENDBRANCH 18 24 ENDBRANCH 1 19 TORSDOF 3