REMARK Name = BDB027759 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.636 0.836 -0.111 0.00 0.00 +0.131 A ATOM 2 C LIG 1 -0.265 2.185 0.024 0.00 0.00 +0.043 A ATOM 3 C LIG 1 1.105 2.412 0.160 0.00 0.00 +0.095 A ATOM 4 C LIG 1 1.496 3.737 0.279 0.00 0.00 +0.139 A ATOM 5 N LIG 1 0.669 4.817 0.283 0.00 0.00 -0.261 NA ATOM 6 C LIG 1 -0.644 4.563 0.170 0.00 0.00 +0.111 A ATOM 7 N LIG 1 2.011 1.426 0.183 0.00 0.00 -0.224 NA ATOM 8 C LIG 1 1.560 0.164 0.086 0.00 0.00 +0.181 A ATOM 9 C LIG 1 -1.156 3.285 0.040 0.00 0.00 +0.033 A ATOM 10 N LIG 1 0.264 -0.161 -0.059 0.00 0.00 -0.211 NA ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 2.544 -0.947 0.135 0.00 0.00 +0.111 A ATOM 12 N LIG 1 3.859 -0.615 0.213 0.00 0.00 -0.232 NA ATOM 13 C LIG 1 4.738 -1.625 0.257 0.00 0.00 +0.221 A ATOM 14 N LIG 1 4.441 -2.930 0.229 0.00 0.00 -0.244 NA ATOM 15 C LIG 1 3.134 -3.226 0.152 0.00 0.00 +0.114 A ATOM 16 C LIG 1 2.142 -2.274 0.101 0.00 0.00 +0.051 A ENDBRANCH 8 11 BRANCH 1 17 ATOM 17 N LIG 1 -2.013 0.507 -0.262 0.00 0.00 -0.323 N ATOM 18 H LIG 1 -2.410 1.083 -1.000 0.00 0.00 +0.148 HD BRANCH 17 20 ATOM 19 C LIG 1 -2.172 -1.595 -1.665 0.00 0.00 +0.031 C ATOM 20 C LIG 1 -2.420 -0.919 -0.337 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -2.368 -1.769 0.912 0.00 0.00 +0.027 C ATOM 22 C LIG 1 -3.692 -1.300 0.391 0.00 0.00 +0.027 C ENDBRANCH 17 20 ENDBRANCH 1 17 TORSDOF 3