REMARK Name = BDB005028 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.484 -0.980 1.468 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -0.141 -1.267 1.215 0.00 0.00 +0.028 A ATOM 3 C LIG 1 0.854 -0.967 2.163 0.00 0.00 -0.029 A ATOM 4 C LIG 1 0.488 -0.351 3.366 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -0.849 -0.060 3.627 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -1.829 -0.375 2.684 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -2.443 -1.878 -0.665 0.00 0.00 +0.248 C ATOM 8 N LIG 1 -2.534 -1.251 0.565 0.00 0.00 -0.281 N ATOM 9 H LIG 1 -3.459 -1.004 0.890 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 -1.439 -2.365 -1.170 0.00 0.00 -0.270 OA BRANCH 7 13 ATOM 11 C LIG 1 -5.900 -1.107 -2.079 0.00 0.00 +0.023 A ATOM 12 C LIG 1 -4.697 -0.976 -1.366 0.00 0.00 +0.024 A ATOM 13 C LIG 1 -3.728 -1.988 -1.412 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -3.947 -3.123 -2.201 0.00 0.00 +0.013 A ATOM 15 C LIG 1 -5.136 -3.261 -2.914 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -6.109 -2.261 -2.850 0.00 0.00 +0.012 A BRANCH 11 21 ATOM 17 C LIG 1 -8.287 3.041 -0.920 0.00 0.00 +0.112 C ATOM 18 C LIG 1 -7.843 1.743 -1.456 0.00 0.00 +0.225 A ATOM 19 O LIG 1 -8.684 1.122 -2.329 0.00 0.00 -0.338 OA ATOM 20 N LIG 1 -8.062 -0.068 -2.697 0.00 0.00 -0.056 NA ATOM 21 C LIG 1 -6.905 -0.051 -2.015 0.00 0.00 +0.202 A ATOM 22 N LIG 1 -6.742 1.068 -1.222 0.00 0.00 -0.192 NA ENDBRANCH 11 21 ENDBRANCH 7 13 ENDBRANCH 1 8 BRANCH 3 23 ATOM 23 C LIG 1 2.307 -1.262 1.866 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 N LIG 1 2.938 -0.037 1.391 0.00 0.00 -0.324 N ATOM 25 H LIG 1 2.428 0.336 0.595 0.00 0.00 +0.148 HD BRANCH 24 26 ATOM 26 C LIG 1 4.301 -0.160 1.047 0.00 0.00 +0.130 A ATOM 27 C LIG 1 4.995 0.965 0.553 0.00 0.00 +0.041 A ATOM 28 C LIG 1 6.349 0.774 0.215 0.00 0.00 +0.088 A ATOM 29 C LIG 1 7.056 1.884 -0.294 0.00 0.00 +0.063 A ATOM 30 C LIG 1 6.438 3.140 -0.448 0.00 0.00 +0.015 A ATOM 31 C LIG 1 5.110 3.321 -0.097 0.00 0.00 +0.002 A ATOM 32 N LIG 1 6.930 -0.436 0.384 0.00 0.00 -0.235 NA ATOM 33 C LIG 1 6.184 -1.426 0.889 0.00 0.00 +0.223 A ATOM 34 C LIG 1 4.395 2.241 0.402 0.00 0.00 +0.013 A ATOM 35 N LIG 1 4.901 -1.346 1.231 0.00 0.00 -0.220 NA BRANCH 29 36 ATOM 36 C LIG 1 8.496 1.823 -0.702 0.00 0.00 +0.244 C ATOM 37 O LIG 1 9.088 2.813 -1.119 0.00 0.00 -0.270 OA ATOM 38 N LIG 1 9.151 0.632 -0.603 0.00 0.00 -0.325 N ATOM 39 H LIG 1 8.682 -0.191 -0.233 0.00 0.00 +0.145 HD ATOM 40 H LIG 1 10.127 0.586 -0.856 0.00 0.00 +0.145 HD ENDBRANCH 29 36 ENDBRANCH 24 26 ENDBRANCH 23 24 ENDBRANCH 3 23 TORSDOF 7