REMARK Name = BDB014582 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.889 -3.794 -0.503 0.00 0.00 +0.239 C ATOM 2 N LIG 1 0.080 -3.716 -1.468 0.00 0.00 -0.311 N ATOM 3 H LIG 1 0.391 -4.624 -1.797 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 -1.252 -4.911 -0.136 0.00 0.00 -0.273 OA ENDROOT BRANCH 1 5 ATOM 5 C LIG 1 -1.443 -2.482 0.073 0.00 0.00 +0.255 C BRANCH 5 6 ATOM 6 O LIG 1 -2.574 -2.680 0.908 0.00 0.00 -0.369 OA BRANCH 6 7 ATOM 7 C LIG 1 -2.840 -1.602 1.803 0.00 0.00 +0.176 C BRANCH 7 8 ATOM 8 C LIG 1 -3.024 -0.213 1.147 0.00 0.00 +0.112 C BRANCH 8 13 ATOM 9 C LIG 1 -6.994 2.547 1.221 0.00 0.00 +0.105 C ATOM 10 N LIG 1 -6.200 1.647 0.392 0.00 0.00 -0.303 NA ATOM 11 C LIG 1 -4.842 2.176 0.179 0.00 0.00 +0.099 C ATOM 12 C LIG 1 -3.944 1.199 -0.619 0.00 0.00 +0.100 C ATOM 13 N LIG 1 -3.865 -0.170 -0.063 0.00 0.00 -0.298 NA ATOM 14 C LIG 1 -5.242 -0.660 0.160 0.00 0.00 +0.100 C ATOM 15 C LIG 1 -6.141 0.296 0.980 0.00 0.00 +0.099 C ENDBRANCH 8 13 ENDBRANCH 7 8 ENDBRANCH 6 7 ENDBRANCH 5 6 ENDBRANCH 1 5 BRANCH 2 16 ATOM 16 C LIG 1 0.758 -2.532 -1.979 0.00 0.00 +0.136 C BRANCH 16 17 ATOM 17 C LIG 1 1.956 -2.132 -1.100 0.00 0.00 +0.145 C BRANCH 17 18 ATOM 18 O LIG 1 2.902 -3.208 -1.107 0.00 0.00 -0.389 OA ATOM 19 H LIG 1 2.497 -3.940 -0.609 0.00 0.00 +0.210 HD ENDBRANCH 17 18 BRANCH 17 20 ATOM 20 C LIG 1 2.616 -0.846 -1.652 0.00 0.00 +0.117 C BRANCH 20 21 ATOM 21 N LIG 1 3.680 -0.291 -0.788 0.00 0.00 -0.295 NA ATOM 22 C LIG 1 4.496 0.673 -1.556 0.00 0.00 +0.120 C ATOM 23 C LIG 1 5.509 1.432 -0.724 0.00 0.00 -0.030 A ATOM 24 C LIG 1 5.387 1.508 0.674 0.00 0.00 -0.042 A ATOM 25 C LIG 1 6.323 2.238 1.419 0.00 0.00 +0.004 A ATOM 26 C LIG 1 7.359 2.914 0.776 0.00 0.00 +0.000 A ATOM 27 C LIG 1 7.471 2.860 -0.611 0.00 0.00 +0.000 A ATOM 28 C LIG 1 4.287 0.750 1.370 0.00 0.00 +0.051 C ATOM 29 C LIG 1 6.550 2.125 -1.358 0.00 0.00 +0.005 A ATOM 30 C LIG 1 3.148 0.362 0.416 0.00 0.00 +0.089 C ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 16 17 ENDBRANCH 2 16 TORSDOF 10