REMARK Name = BDB047377 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.237 -0.885 -0.125 0.00 0.00 +0.071 A ATOM 2 C LIG 1 -1.226 0.168 -0.421 0.00 0.00 +0.283 A ATOM 3 O LIG 1 -1.491 1.327 -0.697 0.00 0.00 -0.265 OA ATOM 4 N LIG 1 0.032 -0.424 -0.360 0.00 0.00 -0.176 N ATOM 5 C LIG 1 0.960 0.196 0.475 0.00 0.00 +0.250 C ATOM 6 O LIG 1 1.472 -0.358 1.450 0.00 0.00 -0.271 OA ATOM 7 N LIG 1 -0.182 -1.816 -0.149 0.00 0.00 -0.214 N ATOM 8 C LIG 1 0.800 -2.790 -0.306 0.00 0.00 +0.247 C ATOM 9 O LIG 1 0.609 -3.986 -0.062 0.00 0.00 -0.271 OA ATOM 10 C LIG 1 -1.538 -2.021 0.024 0.00 0.00 +0.055 A ATOM 11 C LIG 1 -2.103 -3.383 0.278 0.00 0.00 +0.066 C ENDROOT BRANCH 1 20 ATOM 12 C LIG 1 -8.104 0.599 -1.005 0.00 0.00 +0.113 C ATOM 13 C LIG 1 -6.724 0.427 -1.542 0.00 0.00 +0.229 C ATOM 14 N LIG 1 -5.720 -0.041 -0.661 0.00 0.00 -0.287 N ATOM 15 C LIG 1 -5.783 -0.442 0.686 0.00 0.00 +0.057 A ATOM 16 C LIG 1 -4.481 -0.808 1.080 0.00 0.00 +0.008 A ATOM 17 C LIG 1 -4.250 -1.236 2.408 0.00 0.00 +0.010 A ATOM 18 C LIG 1 -5.305 -1.311 3.316 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -6.586 -0.962 2.920 0.00 0.00 +0.002 A ATOM 20 C LIG 1 -3.629 -0.642 -0.041 0.00 0.00 +0.015 A ATOM 21 C LIG 1 -6.843 -0.527 1.615 0.00 0.00 +0.027 A ATOM 22 C LIG 1 -4.399 -0.177 -1.074 0.00 0.00 +0.103 A ATOM 23 O LIG 1 -6.426 0.670 -2.709 0.00 0.00 -0.273 OA ENDBRANCH 1 20 BRANCH 5 24 ATOM 24 C LIG 1 1.297 1.629 0.096 0.00 0.00 +0.105 C BRANCH 24 25 ATOM 25 C LIG 1 2.649 2.044 0.673 0.00 0.00 +0.044 C BRANCH 25 26 ATOM 26 C LIG 1 3.086 3.394 0.165 0.00 0.00 -0.047 A ATOM 27 C LIG 1 4.015 3.492 -0.879 0.00 0.00 +0.003 A ATOM 28 C LIG 1 4.408 4.742 -1.361 0.00 0.00 +0.000 A ATOM 29 C LIG 1 3.874 5.903 -0.805 0.00 0.00 +0.000 A ATOM 30 C LIG 1 2.947 5.816 0.232 0.00 0.00 +0.000 A ATOM 31 C LIG 1 2.553 4.567 0.715 0.00 0.00 +0.003 A ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 5 24 BRANCH 8 32 ATOM 32 C LIG 1 2.144 -2.374 -0.882 0.00 0.00 +0.105 C BRANCH 32 33 ATOM 33 C LIG 1 3.274 -2.827 0.040 0.00 0.00 +0.044 C BRANCH 33 34 ATOM 34 C LIG 1 4.590 -2.205 -0.355 0.00 0.00 -0.047 A ATOM 35 C LIG 1 5.129 -1.154 0.400 0.00 0.00 +0.003 A ATOM 36 C LIG 1 6.331 -0.555 0.021 0.00 0.00 +0.000 A ATOM 37 C LIG 1 7.006 -1.002 -1.113 0.00 0.00 +0.000 A ATOM 38 C LIG 1 6.481 -2.050 -1.867 0.00 0.00 +0.000 A ATOM 39 C LIG 1 5.278 -2.649 -1.491 0.00 0.00 +0.003 A ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 8 32 TORSDOF 7