REMARK Name = BDB053392 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.423 -1.078 -1.317 0.00 0.00 -0.294 N ATOM 2 C LIG 1 -1.118 -0.441 -0.271 0.00 0.00 +0.221 C ATOM 3 O LIG 1 -0.623 0.464 0.405 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 4 ATOM 4 C LIG 1 -2.511 -0.989 0.057 0.00 0.00 +0.096 C ATOM 5 C LIG 1 -3.392 0.078 0.754 0.00 0.00 +0.033 C ATOM 6 C LIG 1 -4.672 -0.563 1.327 0.00 0.00 +0.024 C ATOM 7 C LIG 1 -4.346 -1.776 2.193 0.00 0.00 +0.081 C ATOM 8 N LIG 1 -3.576 -2.771 1.448 0.00 0.00 -0.315 NA ATOM 9 H LIG 1 -4.121 -3.098 0.651 0.00 0.00 +0.122 HD ATOM 10 C LIG 1 -2.308 -2.200 0.980 0.00 0.00 +0.094 C BRANCH 5 11 ATOM 11 C LIG 1 -3.715 1.259 -0.156 0.00 0.00 -0.037 A ATOM 12 C LIG 1 -3.260 2.496 0.115 0.00 0.00 +0.074 A ATOM 13 C LIG 1 -3.564 3.648 -0.777 0.00 0.00 +0.251 A ATOM 14 O LIG 1 -3.148 4.765 -0.480 0.00 0.00 -0.268 OA ATOM 15 N LIG 1 -4.323 3.354 -1.909 0.00 0.00 -0.318 N ATOM 16 C LIG 1 -4.680 4.430 -2.818 0.00 0.00 +0.152 C ATOM 17 C LIG 1 -4.793 2.080 -2.166 0.00 0.00 +0.089 A ATOM 18 C LIG 1 -4.517 1.057 -1.348 0.00 0.00 +0.022 A ENDBRANCH 5 11 ENDBRANCH 2 4 BRANCH 1 19 ATOM 19 C LIG 1 -1.163 -1.526 -2.486 0.00 0.00 +0.077 C ATOM 20 C LIG 1 -0.624 -2.474 -3.526 0.00 0.00 +0.024 C ATOM 21 C LIG 1 -1.686 -2.938 -2.580 0.00 0.00 +0.024 C ENDBRANCH 1 19 BRANCH 1 22 ATOM 22 C LIG 1 0.956 -0.625 -1.552 0.00 0.00 +0.143 C BRANCH 22 30 ATOM 23 C LIG 1 3.332 0.042 1.317 0.00 0.00 +0.042 A ATOM 24 N LIG 1 3.721 -1.184 1.726 0.00 0.00 -0.252 NA ATOM 25 C LIG 1 3.212 -2.261 1.109 0.00 0.00 +0.072 A ATOM 26 C LIG 1 2.295 -2.179 0.034 0.00 0.00 +0.005 A ATOM 27 C LIG 1 1.824 -3.385 -0.535 0.00 0.00 +0.010 A ATOM 28 C LIG 1 2.244 -4.629 -0.063 0.00 0.00 +0.001 A ATOM 29 C LIG 1 3.144 -4.692 0.988 0.00 0.00 +0.002 A ATOM 30 C LIG 1 1.911 -0.885 -0.399 0.00 0.00 -0.019 A ATOM 31 C LIG 1 3.616 -3.510 1.560 0.00 0.00 +0.028 A ATOM 32 C LIG 1 2.450 0.228 0.264 0.00 0.00 +0.029 A BRANCH 23 33 ATOM 33 C LIG 1 3.919 1.222 2.045 0.00 0.00 +0.057 C BRANCH 33 34 ATOM 34 C LIG 1 5.121 1.800 1.304 0.00 0.00 +0.034 C BRANCH 34 35 ATOM 35 C LIG 1 5.739 2.959 2.074 0.00 0.00 +0.160 C BRANCH 35 37 ATOM 36 C LIG 1 7.486 4.538 1.990 0.00 0.00 +0.193 C ATOM 37 O LIG 1 6.842 3.463 1.321 0.00 0.00 -0.383 OA ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 23 33 ENDBRANCH 22 30 ENDBRANCH 1 22 TORSDOF 9