REMARK Name = BDB039328 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.836 -0.736 0.386 0.00 0.00 -0.030 A ATOM 2 C LIG 1 3.111 -2.047 0.568 0.00 0.00 +0.032 A ATOM 3 C LIG 1 2.089 -3.015 0.375 0.00 0.00 +0.066 A ATOM 4 N LIG 1 0.827 -2.574 0.003 0.00 0.00 -0.299 N ATOM 5 C LIG 1 0.055 -3.706 -0.127 0.00 0.00 +0.204 A ATOM 6 N LIG 1 0.724 -4.805 0.151 0.00 0.00 -0.243 NA ATOM 7 C LIG 1 0.508 -1.220 -0.181 0.00 0.00 +0.055 A ATOM 8 C LIG 1 1.992 -4.384 0.461 0.00 0.00 +0.138 A ATOM 9 C LIG 1 1.485 -0.306 0.006 0.00 0.00 +0.031 A ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -0.839 -0.765 -0.555 0.00 0.00 -0.001 A ATOM 11 C LIG 1 -1.869 -0.769 0.402 0.00 0.00 +0.016 A ATOM 12 C LIG 1 -3.126 -0.333 0.018 0.00 0.00 -0.017 A ATOM 13 C LIG 1 -4.389 -0.250 0.809 0.00 0.00 +0.144 C ATOM 14 N LIG 1 -5.318 0.355 -0.138 0.00 0.00 -0.282 N ATOM 15 C LIG 1 -4.760 0.495 -1.400 0.00 0.00 +0.248 C ATOM 16 O LIG 1 -5.302 0.870 -2.422 0.00 0.00 -0.270 OA ATOM 17 C LIG 1 -3.352 0.099 -1.288 0.00 0.00 +0.042 A ATOM 18 C LIG 1 -2.364 0.116 -2.252 0.00 0.00 +0.014 A ATOM 19 C LIG 1 -1.092 -0.321 -1.874 0.00 0.00 +0.011 A BRANCH 14 20 ATOM 20 C LIG 1 -6.759 0.414 0.076 0.00 0.00 +0.163 C ATOM 21 C LIG 1 -7.409 -0.980 0.050 0.00 0.00 +0.240 C ATOM 22 O LIG 1 -6.841 -2.005 -0.320 0.00 0.00 -0.273 OA ATOM 23 N LIG 1 -8.711 -1.029 0.491 0.00 0.00 -0.255 N ATOM 24 H LIG 1 -9.124 -1.952 0.487 0.00 0.00 +0.158 HD ATOM 25 C LIG 1 -9.291 -0.149 1.371 0.00 0.00 +0.219 C ATOM 26 O LIG 1 -10.293 -0.458 2.007 0.00 0.00 -0.275 OA ATOM 27 C LIG 1 -8.642 1.210 1.492 0.00 0.00 +0.098 C ATOM 28 C LIG 1 -7.128 1.107 1.385 0.00 0.00 +0.041 C ENDBRANCH 14 20 ENDBRANCH 7 10 BRANCH 1 29 ATOM 29 C LIG 1 3.877 0.343 0.589 0.00 0.00 +0.117 C BRANCH 29 30 ATOM 30 N LIG 1 4.127 1.056 -0.665 0.00 0.00 -0.306 NA ATOM 31 H LIG 1 4.446 0.377 -1.355 0.00 0.00 +0.123 HD BRANCH 30 33 ATOM 32 C LIG 1 4.682 3.279 0.331 0.00 0.00 +0.029 C ATOM 33 C LIG 1 5.133 2.129 -0.579 0.00 0.00 +0.081 C BRANCH 33 34 ATOM 34 C LIG 1 6.535 1.597 -0.313 0.00 0.00 -0.031 A ATOM 35 C LIG 1 7.142 1.645 0.952 0.00 0.00 +0.005 A ATOM 36 C LIG 1 8.424 1.126 1.151 0.00 0.00 +0.000 A ATOM 37 C LIG 1 9.118 0.547 0.091 0.00 0.00 +0.000 A ATOM 38 C LIG 1 8.531 0.485 -1.169 0.00 0.00 +0.000 A ATOM 39 C LIG 1 7.250 1.003 -1.369 0.00 0.00 +0.005 A ENDBRANCH 33 34 ENDBRANCH 30 33 ENDBRANCH 29 30 ENDBRANCH 1 29 TORSDOF 6