REMARK Name = BDB042109 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.384 -1.512 1.635 0.00 0.00 +0.247 C ATOM 2 N LIG 1 -0.840 -0.916 1.356 0.00 0.00 -0.295 N ATOM 3 C LIG 1 -2.057 -1.628 1.741 0.00 0.00 +0.123 C ATOM 4 C LIG 1 -3.281 -0.697 1.792 0.00 0.00 +0.104 C ATOM 5 N LIG 1 -3.560 0.074 0.551 0.00 0.00 -0.289 NA ATOM 6 C LIG 1 -2.355 0.142 -0.311 0.00 0.00 +0.104 C ATOM 7 C LIG 1 -1.034 0.241 0.476 0.00 0.00 +0.123 C ATOM 8 O LIG 1 0.490 -2.643 2.102 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 15 ATOM 9 N LIG 1 5.885 0.057 -0.274 0.00 0.00 -0.282 N ATOM 10 C LIG 1 5.307 1.064 0.486 0.00 0.00 +0.248 C ATOM 11 O LIG 1 5.777 2.139 0.803 0.00 0.00 -0.270 OA ATOM 12 C LIG 1 3.976 0.589 0.879 0.00 0.00 +0.042 A ATOM 13 C LIG 1 3.829 -0.718 0.414 0.00 0.00 -0.017 A ATOM 14 C LIG 1 2.657 -1.415 0.652 0.00 0.00 +0.019 A ATOM 15 C LIG 1 1.632 -0.761 1.355 0.00 0.00 +0.037 A ATOM 16 C LIG 1 1.808 0.552 1.846 0.00 0.00 +0.014 A ATOM 17 C LIG 1 2.995 1.245 1.600 0.00 0.00 +0.014 A ATOM 18 C LIG 1 5.076 -1.155 -0.276 0.00 0.00 +0.144 C BRANCH 9 25 ATOM 19 O LIG 1 11.290 1.071 -0.589 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 10.086 0.830 -0.597 0.00 0.00 +0.219 C ATOM 21 N LIG 1 9.490 0.167 0.446 0.00 0.00 -0.255 N ATOM 22 H LIG 1 10.095 -0.078 1.218 0.00 0.00 +0.158 HD ATOM 23 C LIG 1 8.198 -0.298 0.524 0.00 0.00 +0.240 C ATOM 24 O LIG 1 7.855 -1.024 1.456 0.00 0.00 -0.273 OA ATOM 25 C LIG 1 7.289 0.032 -0.671 0.00 0.00 +0.163 C ATOM 26 C LIG 1 7.755 1.312 -1.364 0.00 0.00 +0.041 C ATOM 27 C LIG 1 9.208 1.158 -1.782 0.00 0.00 +0.098 C ENDBRANCH 9 25 ENDBRANCH 1 15 BRANCH 5 28 ATOM 28 C LIG 1 -4.744 -0.457 -0.189 0.00 0.00 +0.117 C BRANCH 28 29 ATOM 29 C LIG 1 -6.045 -0.419 0.628 0.00 0.00 -0.026 A ATOM 30 C LIG 1 -6.984 -1.457 0.490 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -8.180 -1.438 1.209 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -8.460 -0.379 2.071 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -7.547 0.663 2.212 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -6.350 0.646 1.494 0.00 0.00 +0.005 A ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -4.975 0.225 -1.545 0.00 0.00 -0.026 A ATOM 36 C LIG 1 -5.137 1.617 -1.651 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -5.353 2.218 -2.892 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -5.414 1.438 -4.044 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -5.260 0.056 -3.957 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -5.044 -0.548 -2.717 0.00 0.00 +0.005 A ENDBRANCH 28 35 ENDBRANCH 5 28 TORSDOF 5