REMARK Name = BDB012664 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.345 -0.164 0.566 0.00 0.00 -0.260 N ATOM 2 C LIG 1 0.225 -1.500 0.281 0.00 0.00 +0.071 A ATOM 3 C LIG 1 1.506 -1.900 -0.091 0.00 0.00 +0.042 A ATOM 4 C LIG 1 1.720 -3.247 -0.450 0.00 0.00 +0.013 A ATOM 5 C LIG 1 0.643 -4.141 -0.425 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -0.629 -3.712 -0.052 0.00 0.00 +0.002 A ATOM 7 C LIG 1 2.313 -0.722 0.004 0.00 0.00 +0.153 A ATOM 8 C LIG 1 -0.865 -2.382 0.309 0.00 0.00 +0.028 A ATOM 9 N LIG 1 1.585 0.325 0.399 0.00 0.00 -0.155 NA ENDROOT BRANCH 7 10 ATOM 10 N LIG 1 3.636 -0.737 -0.290 0.00 0.00 -0.296 N ATOM 11 H LIG 1 4.040 -1.629 -0.580 0.00 0.00 +0.154 HD BRANCH 10 12 ATOM 12 C LIG 1 4.623 0.275 -0.270 0.00 0.00 +0.065 A ATOM 13 C LIG 1 5.962 0.015 -0.633 0.00 0.00 +0.083 A ATOM 14 C LIG 1 6.920 1.041 -0.606 0.00 0.00 +0.036 A ATOM 15 C LIG 1 6.527 2.304 -0.220 0.00 0.00 +0.111 A ATOM 16 N LIG 1 5.267 2.605 0.134 0.00 0.00 -0.261 NA ATOM 17 C LIG 1 4.357 1.595 0.101 0.00 0.00 +0.134 A BRANCH 13 18 ATOM 18 C LIG 1 6.476 -1.314 -1.062 0.00 0.00 +0.339 C ATOM 19 O LIG 1 7.625 -1.558 -1.385 0.00 0.00 -0.245 OA BRANCH 18 20 ATOM 20 O LIG 1 5.552 -2.297 -1.075 0.00 0.00 -0.477 OA ATOM 21 H LIG 1 6.075 -3.074 -1.376 0.00 0.00 +0.295 HD ENDBRANCH 18 20 ENDBRANCH 13 18 ENDBRANCH 10 12 ENDBRANCH 7 10 BRANCH 1 22 ATOM 22 C LIG 1 -0.710 0.732 0.992 0.00 0.00 +0.172 C BRANCH 22 23 ATOM 23 C LIG 1 -1.343 1.456 -0.189 0.00 0.00 +0.183 C BRANCH 23 24 ATOM 24 O LIG 1 -2.477 2.223 0.225 0.00 0.00 -0.377 OA BRANCH 24 25 ATOM 25 C LIG 1 -3.697 1.474 0.207 0.00 0.00 +0.175 C BRANCH 25 26 ATOM 26 C LIG 1 -4.838 2.374 0.710 0.00 0.00 +0.112 C BRANCH 26 28 ATOM 27 C LIG 1 -6.283 0.683 1.716 0.00 0.00 +0.104 C ATOM 28 N LIG 1 -6.188 1.792 0.773 0.00 0.00 -0.306 NA ATOM 29 C LIG 1 -6.700 1.414 -0.541 0.00 0.00 +0.104 C ENDBRANCH 26 28 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 10