REMARK Name = BDB019405 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.550 0.586 0.511 0.00 0.00 +0.164 C ATOM 2 N LIG 1 -0.578 -0.336 0.434 0.00 0.00 -0.286 N ATOM 3 C LIG 1 -1.556 -0.159 -0.522 0.00 0.00 +0.237 C ATOM 4 O LIG 1 -1.516 0.816 -1.275 0.00 0.00 -0.274 OA ATOM 5 C LIG 1 -0.464 -1.385 1.434 0.00 0.00 +0.140 C ATOM 6 C LIG 1 0.854 -1.111 2.168 0.00 0.00 +0.134 C ATOM 7 C LIG 1 1.095 0.379 1.919 0.00 0.00 +0.065 C ENDROOT BRANCH 1 10 ATOM 8 N LIG 1 2.398 1.286 -0.937 0.00 0.00 -0.310 N ATOM 9 H LIG 1 2.211 2.210 -0.573 0.00 0.00 +0.149 HD ATOM 10 C LIG 1 1.631 0.218 -0.526 0.00 0.00 +0.234 C ATOM 11 O LIG 1 1.841 -0.941 -0.883 0.00 0.00 -0.274 OA BRANCH 8 12 ATOM 12 C LIG 1 3.534 1.125 -1.815 0.00 0.00 +0.139 C BRANCH 12 16 ATOM 13 C LIG 1 7.176 1.228 0.512 0.00 0.00 +0.120 A ATOM 14 C LIG 1 6.459 0.040 0.378 0.00 0.00 +0.046 A ATOM 15 C LIG 1 5.284 0.010 -0.382 0.00 0.00 +0.009 A ATOM 16 C LIG 1 4.815 1.164 -1.024 0.00 0.00 -0.030 A ATOM 17 C LIG 1 5.534 2.356 -0.879 0.00 0.00 +0.009 A ATOM 18 C LIG 1 6.706 2.382 -0.119 0.00 0.00 +0.046 A BRANCH 13 20 ATOM 19 C LIG 1 8.865 0.242 1.861 0.00 0.00 +0.277 C ATOM 20 O LIG 1 8.332 1.395 1.223 0.00 0.00 -0.495 OA ENDBRANCH 13 20 ENDBRANCH 12 16 ENDBRANCH 8 12 ENDBRANCH 1 10 BRANCH 6 21 ATOM 21 O LIG 1 0.756 -1.358 3.561 0.00 0.00 -0.390 OA ATOM 22 H LIG 1 0.770 -2.323 3.689 0.00 0.00 +0.210 HD ENDBRANCH 6 21 BRANCH 3 23 ATOM 23 C LIG 1 -2.716 -1.188 -0.563 0.00 0.00 +0.165 C BRANCH 23 24 ATOM 24 N LIG 1 -3.967 -0.461 -0.301 0.00 0.00 -0.281 N ATOM 25 C LIG 1 -4.710 0.239 -1.245 0.00 0.00 +0.248 C ATOM 26 O LIG 1 -4.625 0.234 -2.457 0.00 0.00 -0.270 OA ATOM 27 C LIG 1 -5.702 1.027 -0.505 0.00 0.00 +0.042 A ATOM 28 C LIG 1 -5.485 0.834 0.857 0.00 0.00 -0.018 A ATOM 29 C LIG 1 -6.287 1.469 1.789 0.00 0.00 +0.006 A ATOM 30 C LIG 1 -7.312 2.299 1.320 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -7.519 2.486 -0.060 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -6.704 1.844 -0.993 0.00 0.00 +0.013 A ATOM 33 C LIG 1 -4.325 -0.077 1.057 0.00 0.00 +0.144 C ENDBRANCH 23 24 BRANCH 23 34 ATOM 34 C LIG 1 -2.690 -2.017 -1.872 0.00 0.00 +0.012 C ATOM 35 C LIG 1 -1.368 -2.781 -2.026 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -3.845 -3.026 -1.918 0.00 0.00 +0.009 C ENDBRANCH 23 34 ENDBRANCH 3 23 TORSDOF 8