REMARK Name = BDB056161 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.938 -0.438 -0.109 0.00 0.00 -0.327 N ATOM 2 C LIG 1 -0.966 0.403 -0.832 0.00 0.00 +0.120 C ATOM 3 C LIG 1 0.467 -0.025 -0.444 0.00 0.00 +0.103 C ATOM 4 N LIG 1 0.803 -1.417 -0.839 0.00 0.00 -0.295 NA ATOM 5 C LIG 1 -0.420 -2.242 -0.972 0.00 0.00 +0.103 C ATOM 6 C LIG 1 -1.587 -1.874 -0.025 0.00 0.00 +0.120 C ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -6.085 0.383 -0.420 0.00 0.00 +0.037 A ATOM 8 C LIG 1 -5.565 -0.205 0.735 0.00 0.00 +0.018 A ATOM 9 C LIG 1 -4.184 -0.453 0.866 0.00 0.00 -0.029 A ATOM 10 C LIG 1 -3.700 -1.041 2.166 0.00 0.00 +0.045 C ATOM 11 C LIG 1 -3.303 -0.151 -0.200 0.00 0.00 +0.033 A ATOM 12 C LIG 1 -3.854 0.439 -1.351 0.00 0.00 +0.024 A ATOM 13 C LIG 1 -5.224 0.701 -1.468 0.00 0.00 +0.015 A BRANCH 7 17 ATOM 14 C LIG 1 -9.338 2.080 -1.334 0.00 0.00 +0.128 C ATOM 15 N LIG 1 -7.953 1.683 -1.294 0.00 0.00 -0.314 N ATOM 16 H LIG 1 -7.261 2.364 -1.574 0.00 0.00 +0.149 HD ATOM 17 C LIG 1 -7.552 0.629 -0.497 0.00 0.00 +0.244 C ATOM 18 O LIG 1 -8.329 -0.063 0.151 0.00 0.00 -0.270 OA ENDBRANCH 7 17 ENDBRANCH 1 11 BRANCH 4 19 ATOM 19 C LIG 1 1.762 -2.024 0.096 0.00 0.00 +0.119 C BRANCH 19 20 ATOM 20 C LIG 1 3.112 -1.336 0.092 0.00 0.00 -0.031 A ATOM 21 C LIG 1 3.613 -0.737 1.255 0.00 0.00 +0.032 A ATOM 22 C LIG 1 4.857 -0.106 1.237 0.00 0.00 +0.076 A ATOM 23 N LIG 1 5.343 0.465 2.413 0.00 0.00 -0.280 N ATOM 24 H LIG 1 4.845 0.368 3.288 0.00 0.00 +0.155 HD ATOM 25 C LIG 1 6.530 1.138 2.450 0.00 0.00 +0.258 C ATOM 26 C LIG 1 7.206 1.357 1.091 0.00 0.00 +0.256 C ATOM 27 O LIG 1 6.865 0.501 0.006 0.00 0.00 -0.478 OA ATOM 28 C LIG 1 6.978 2.800 0.648 0.00 0.00 +0.062 C ATOM 29 O LIG 1 6.974 1.587 3.505 0.00 0.00 -0.271 OA ATOM 30 C LIG 1 5.621 -0.070 0.067 0.00 0.00 +0.146 A ATOM 31 C LIG 1 5.140 -0.673 -1.104 0.00 0.00 -0.007 A ATOM 32 C LIG 1 5.949 -0.656 -2.369 0.00 0.00 +0.047 C ATOM 33 C LIG 1 3.885 -1.299 -1.080 0.00 0.00 +0.012 A ENDBRANCH 19 20 ENDBRANCH 4 19 TORSDOF 4