REMARK Name = BDB008741 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.920 -0.399 -0.198 0.00 0.00 +0.127 A ATOM 2 N LIG 1 -1.605 -0.662 -0.215 0.00 0.00 -0.224 NA ATOM 3 C LIG 1 -0.754 0.367 -0.419 0.00 0.00 +0.116 A ATOM 4 C LIG 1 -1.151 1.678 -0.596 0.00 0.00 +0.047 A ATOM 5 C LIG 1 -2.515 1.946 -0.552 0.00 0.00 +0.006 A ATOM 6 C LIG 1 -3.412 0.891 -0.365 0.00 0.00 +0.054 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -3.004 3.302 -0.746 0.00 0.00 +0.074 A ATOM 8 N LIG 1 -3.247 4.263 0.236 0.00 0.00 -0.297 N ATOM 9 C LIG 1 -3.708 5.393 -0.456 0.00 0.00 +0.138 A ATOM 10 C LIG 1 -4.045 6.549 0.299 0.00 0.00 +0.047 A ATOM 11 C LIG 1 -3.913 6.538 1.635 0.00 0.00 +0.005 A ATOM 12 C LIG 1 -3.432 5.363 2.334 0.00 0.00 +0.021 A ATOM 13 N LIG 1 -3.760 5.197 -1.755 0.00 0.00 -0.235 NA ATOM 14 C LIG 1 -3.105 4.246 1.647 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -2.608 3.034 2.374 0.00 0.00 +0.064 C ATOM 16 C LIG 1 -3.328 3.918 -1.941 0.00 0.00 +0.139 A ENDBRANCH 5 7 BRANCH 1 18 ATOM 17 C LIG 1 -3.707 -2.760 0.176 0.00 0.00 +0.235 C ATOM 18 N LIG 1 -3.855 -1.413 0.004 0.00 0.00 -0.269 N ATOM 19 H LIG 1 -4.832 -1.152 0.020 0.00 0.00 +0.156 HD ATOM 20 O LIG 1 -4.758 -3.385 0.369 0.00 0.00 -0.274 OA BRANCH 17 21 ATOM 21 C LIG 1 -2.313 -3.438 0.175 0.00 0.00 +0.137 C ATOM 22 C LIG 1 -1.647 -3.305 1.544 0.00 0.00 +0.034 C BRANCH 21 24 ATOM 23 C LIG 1 -2.918 -5.811 0.617 0.00 0.00 +0.101 C ATOM 24 N LIG 1 -2.373 -4.840 -0.323 0.00 0.00 -0.309 NA ATOM 25 H LIG 1 -1.427 -5.130 -0.568 0.00 0.00 +0.122 HD ENDBRANCH 21 24 ENDBRANCH 17 21 ENDBRANCH 1 18 BRANCH 3 26 ATOM 26 C LIG 1 0.625 0.000 -0.434 0.00 0.00 -0.041 C ATOM 27 C LIG 1 1.783 -0.319 -0.448 0.00 0.00 -0.060 C BRANCH 27 28 ATOM 28 C LIG 1 3.157 -0.712 -0.469 0.00 0.00 +0.026 A ATOM 29 C LIG 1 4.125 0.086 0.144 0.00 0.00 +0.025 A ATOM 30 C LIG 1 5.481 -0.288 0.132 0.00 0.00 -0.014 A ATOM 31 C LIG 1 5.876 -1.485 -0.507 0.00 0.00 +0.003 A ATOM 32 C LIG 1 7.253 -1.804 -0.484 0.00 0.00 +0.046 A ATOM 33 N LIG 1 8.189 -1.022 0.115 0.00 0.00 -0.260 NA ATOM 34 C LIG 1 7.768 0.109 0.711 0.00 0.00 +0.111 A ATOM 35 C LIG 1 7.785 -3.052 -1.132 0.00 0.00 +0.066 C ATOM 36 C LIG 1 4.878 -2.277 -1.121 0.00 0.00 +0.011 A ATOM 37 C LIG 1 6.447 0.513 0.746 0.00 0.00 +0.028 A ATOM 38 C LIG 1 3.534 -1.893 -1.102 0.00 0.00 +0.017 A ENDBRANCH 27 28 ENDBRANCH 3 26 TORSDOF 6