REMARK Name = BDB043205 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.799 0.686 0.032 0.00 0.00 +0.223 A ATOM 2 N LIG 1 -1.690 2.019 0.030 0.00 0.00 -0.199 NA ATOM 3 C LIG 1 -0.507 2.570 0.335 0.00 0.00 +0.131 A ATOM 4 C LIG 1 0.585 1.778 0.629 0.00 0.00 +0.087 A ATOM 5 C LIG 1 0.405 0.415 0.577 0.00 0.00 +0.126 A ATOM 6 N LIG 1 -0.776 -0.137 0.289 0.00 0.00 -0.199 NA ENDROOT BRANCH 1 7 ATOM 7 N LIG 1 -3.073 0.215 -0.275 0.00 0.00 -0.284 N ATOM 8 H LIG 1 -3.680 1.018 -0.370 0.00 0.00 +0.155 HD BRANCH 7 12 ATOM 9 C LIG 1 -4.975 -3.562 -0.463 0.00 0.00 +0.059 A ATOM 10 C LIG 1 -5.670 -2.384 -0.751 0.00 0.00 +0.017 A ATOM 11 C LIG 1 -5.017 -1.147 -0.675 0.00 0.00 +0.024 A ATOM 12 C LIG 1 -3.666 -1.049 -0.304 0.00 0.00 +0.034 A ATOM 13 C LIG 1 -2.983 -2.238 -0.031 0.00 0.00 +0.024 A ATOM 14 C LIG 1 -3.626 -3.481 -0.104 0.00 0.00 +0.017 A BRANCH 9 15 ATOM 15 C LIG 1 -5.610 -4.906 -0.527 0.00 0.00 +0.339 C ATOM 16 O LIG 1 -5.017 -5.946 -0.289 0.00 0.00 -0.245 OA BRANCH 15 18 ATOM 17 C LIG 1 -7.595 -6.056 -0.961 0.00 0.00 +0.280 C ATOM 18 O LIG 1 -6.916 -4.802 -0.880 0.00 0.00 -0.464 OA ENDBRANCH 15 18 ENDBRANCH 9 15 ENDBRANCH 7 12 ENDBRANCH 1 7 BRANCH 3 19 ATOM 19 N LIG 1 -0.344 3.974 0.397 0.00 0.00 -0.283 N ATOM 20 H LIG 1 0.548 4.245 0.007 0.00 0.00 +0.155 HD BRANCH 19 21 ATOM 21 C LIG 1 -1.306 4.924 0.460 0.00 0.00 +0.146 A ATOM 22 N LIG 1 -2.572 4.787 0.860 0.00 0.00 -0.158 NA ATOM 23 N LIG 1 -3.098 6.013 0.760 0.00 0.00 -0.280 N ATOM 24 H LIG 1 -4.073 6.134 1.013 0.00 0.00 +0.189 HD ATOM 25 C LIG 1 -2.213 6.957 0.326 0.00 0.00 +0.035 A ATOM 26 C LIG 1 -2.585 8.377 0.156 0.00 0.00 +0.065 C ATOM 27 C LIG 1 -1.032 6.276 0.128 0.00 0.00 +0.068 A ENDBRANCH 19 21 ENDBRANCH 3 19 BRANCH 5 28 ATOM 28 N LIG 1 1.438 -0.484 0.864 0.00 0.00 -0.328 N ATOM 29 H LIG 1 0.996 -1.398 0.753 0.00 0.00 +0.147 HD BRANCH 28 30 ATOM 30 C LIG 1 2.606 -0.359 -0.015 0.00 0.00 +0.118 C BRANCH 30 31 ATOM 31 C LIG 1 3.615 -1.491 0.288 0.00 0.00 +0.103 C BRANCH 31 32 ATOM 32 N LIG 1 4.793 -1.512 -0.600 0.00 0.00 -0.301 NA ATOM 33 C LIG 1 5.588 -0.278 -0.493 0.00 0.00 +0.084 C ATOM 34 C LIG 1 7.022 -0.460 -0.988 0.00 0.00 +0.015 C ATOM 35 C LIG 1 7.770 -1.497 -0.152 0.00 0.00 +0.002 C ATOM 36 C LIG 1 6.830 -2.538 0.454 0.00 0.00 +0.015 C ATOM 37 C LIG 1 5.589 -2.738 -0.412 0.00 0.00 +0.084 C ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 5 28 TORSDOF 10