REMARK Name = BDB024423 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.966 -0.076 0.494 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.040 1.395 0.880 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.020 2.404 -0.098 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.046 3.749 0.269 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.092 4.104 1.615 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.116 3.115 2.596 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.090 1.767 2.233 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.441 -0.545 -0.011 0.00 0.00 +0.240 C ATOM 9 N LIG 1 1.503 0.253 0.372 0.00 0.00 -0.269 N ATOM 10 H LIG 1 1.297 1.123 0.840 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 0.519 -1.591 -0.661 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 2.853 0.005 0.099 0.00 0.00 +0.125 A ATOM 13 N LIG 1 3.241 -1.125 -0.510 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 4.566 -1.304 -0.740 0.00 0.00 +0.121 A ATOM 15 C LIG 1 5.558 -0.397 -0.383 0.00 0.00 +0.003 A ATOM 16 C LIG 1 5.132 0.768 0.255 0.00 0.00 +0.013 A ATOM 17 C LIG 1 3.771 0.972 0.498 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 6.957 -0.667 -0.656 0.00 0.00 +0.021 A ATOM 19 C LIG 1 7.948 0.286 -0.779 0.00 0.00 +0.116 A ATOM 20 N LIG 1 9.104 -0.390 -1.048 0.00 0.00 -0.274 N ATOM 21 C LIG 1 10.412 0.176 -1.267 0.00 0.00 +0.172 C ATOM 22 N LIG 1 8.941 -1.722 -1.108 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 7.637 -1.890 -0.874 0.00 0.00 +0.143 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 -1.964 -0.411 -0.553 0.00 0.00 -0.302 NA ATOM 25 H LIG 1 -1.645 -1.285 -0.989 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.302 -0.608 0.010 0.00 0.00 +0.086 C BRANCH 26 27 ATOM 27 C LIG 1 -4.303 -0.926 -1.108 0.00 0.00 +0.052 C BRANCH 27 32 ATOM 28 C LIG 1 -9.607 -1.582 1.032 0.00 0.00 +0.065 C ATOM 29 C LIG 1 -8.224 -1.447 0.472 0.00 0.00 +0.038 A ATOM 30 N LIG 1 -7.774 -0.195 0.224 0.00 0.00 -0.260 NA ATOM 31 C LIG 1 -6.528 -0.072 -0.286 0.00 0.00 +0.114 A ATOM 32 C LIG 1 -5.689 -1.145 -0.566 0.00 0.00 -0.028 A ATOM 33 C LIG 1 -6.173 -2.425 -0.295 0.00 0.00 +0.007 A ATOM 34 C LIG 1 -7.455 -2.580 0.227 0.00 0.00 +0.023 A ENDBRANCH 27 32 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 8