REMARK Name = BDB024374 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.072 -1.573 0.127 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.677 -3.030 0.351 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.041 -3.405 1.497 0.00 0.00 +0.005 A ATOM 4 C LIG 1 0.399 -4.738 1.709 0.00 0.00 +0.000 A ATOM 5 C LIG 1 0.039 -5.714 0.782 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.681 -5.359 -0.357 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.038 -4.027 -0.570 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.767 -0.470 -1.279 0.00 0.00 -0.269 N ATOM 9 H LIG 1 1.004 -0.234 -2.233 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.467 -1.047 -1.209 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -1.070 -1.140 -2.291 0.00 0.00 -0.273 OA BRANCH 8 14 ATOM 12 C LIG 1 3.902 0.684 0.221 0.00 0.00 -0.010 A ATOM 13 C LIG 1 2.917 0.365 -0.720 0.00 0.00 +0.052 A ATOM 14 C LIG 1 1.711 -0.185 -0.294 0.00 0.00 +0.125 A ATOM 15 N LIG 1 1.454 -0.416 1.002 0.00 0.00 -0.240 NA ATOM 16 C LIG 1 2.412 -0.101 1.901 0.00 0.00 +0.113 A ATOM 17 C LIG 1 3.635 0.446 1.566 0.00 0.00 +0.028 A BRANCH 12 22 ATOM 18 C LIG 1 7.983 1.812 -2.378 0.00 0.00 +0.172 C ATOM 19 N LIG 1 6.974 1.740 -1.349 0.00 0.00 -0.274 N ATOM 20 N LIG 1 7.149 2.421 -0.203 0.00 0.00 -0.179 NA ATOM 21 C LIG 1 6.056 2.127 0.505 0.00 0.00 +0.142 A ATOM 22 C LIG 1 5.173 1.260 -0.182 0.00 0.00 +0.020 A ATOM 23 C LIG 1 5.809 1.028 -1.386 0.00 0.00 +0.116 A ENDBRANCH 12 22 ENDBRANCH 8 14 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 -2.561 -1.473 0.113 0.00 0.00 -0.302 NA ATOM 25 H LIG 1 -2.912 -1.979 0.924 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.016 -0.081 0.168 0.00 0.00 +0.086 C BRANCH 26 27 ATOM 27 C LIG 1 -4.549 -0.025 0.123 0.00 0.00 +0.050 C BRANCH 27 28 ATOM 28 C LIG 1 -5.057 1.397 0.172 0.00 0.00 -0.046 A ATOM 29 C LIG 1 -5.163 2.150 -1.006 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -5.614 3.471 -0.964 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -5.962 4.054 0.258 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -5.853 3.311 1.437 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -5.401 1.990 1.394 0.00 0.00 +0.005 A BRANCH 31 34 ATOM 34 C LIG 1 -6.424 5.410 0.302 0.00 0.00 +0.099 C ATOM 35 N LIG 1 -6.797 6.509 0.341 0.00 0.00 -0.191 NA ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9