REMARK Name = BDB016719 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.662 1.600 -0.637 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -3.677 0.727 -1.740 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -2.480 0.119 -2.136 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -1.264 0.338 -1.500 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -0.327 -0.478 -2.210 0.00 0.00 +0.093 A ATOM 6 N LIG 1 -0.916 -1.115 -3.234 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -1.238 1.242 -0.422 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -2.204 -0.754 -3.150 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -2.853 -1.135 -3.828 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -2.432 1.856 -0.010 0.00 0.00 +0.005 A ENDROOT BRANCH 1 19 ATOM 11 C LIG 1 -9.653 0.664 -0.465 0.00 0.00 +0.138 C ATOM 12 N LIG 1 -8.259 0.716 -0.117 0.00 0.00 -0.273 N ATOM 13 C LIG 1 -7.486 -0.414 0.218 0.00 0.00 +0.040 A ATOM 14 C LIG 1 -6.179 -0.002 0.530 0.00 0.00 -0.010 A ATOM 15 C LIG 1 -5.244 -0.952 0.920 0.00 0.00 +0.006 A ATOM 16 C LIG 1 -5.624 -2.298 0.971 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -6.933 -2.688 0.645 0.00 0.00 +0.002 A ATOM 18 C LIG 1 -6.112 1.490 0.371 0.00 0.00 +0.081 C ATOM 19 C LIG 1 -4.935 2.274 -0.176 0.00 0.00 +0.040 C ATOM 20 C LIG 1 -5.291 2.344 1.295 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -7.883 -1.739 0.265 0.00 0.00 +0.024 A ATOM 22 C LIG 1 -7.515 1.887 -0.031 0.00 0.00 +0.231 C ATOM 23 O LIG 1 -7.874 3.036 -0.234 0.00 0.00 -0.274 OA ENDBRANCH 1 19 BRANCH 5 24 ATOM 24 C LIG 1 1.076 -0.630 -1.958 0.00 0.00 +0.031 C ATOM 25 C LIG 1 1.689 -0.545 -0.765 0.00 0.00 +0.010 C BRANCH 25 26 ATOM 26 C LIG 1 3.134 -0.733 -0.571 0.00 0.00 -0.025 A ATOM 27 C LIG 1 3.583 -1.383 0.585 0.00 0.00 +0.008 A ATOM 28 C LIG 1 4.950 -1.552 0.821 0.00 0.00 +0.005 A ATOM 29 C LIG 1 5.898 -1.063 -0.088 0.00 0.00 -0.033 A ATOM 30 C LIG 1 5.449 -0.399 -1.236 0.00 0.00 +0.005 A ATOM 31 C LIG 1 4.081 -0.231 -1.472 0.00 0.00 +0.008 A BRANCH 29 32 ATOM 32 C LIG 1 7.378 -1.256 0.167 0.00 0.00 +0.119 C BRANCH 32 33 ATOM 33 N LIG 1 7.831 -0.631 1.414 0.00 0.00 -0.298 NA ATOM 34 C LIG 1 9.228 -0.949 1.707 0.00 0.00 +0.085 C ATOM 35 C LIG 1 9.586 0.057 2.789 0.00 0.00 +0.017 C ATOM 36 C LIG 1 8.654 1.241 2.553 0.00 0.00 +0.017 C ATOM 37 C LIG 1 7.778 0.832 1.377 0.00 0.00 +0.085 C ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 5 24 TORSDOF 5