REMARK Name = BDB012475 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -2.671 -3.168 3.508 0.00 0.00 -0.270 OA ATOM 2 C LIG 1 -2.094 -2.530 2.631 0.00 0.00 +0.250 C ATOM 3 C LIG 1 -2.341 -2.867 1.214 0.00 0.00 +0.037 A ATOM 4 C LIG 1 -3.378 -2.196 0.551 0.00 0.00 +0.018 A ATOM 5 C LIG 1 -3.601 -2.398 -0.818 0.00 0.00 -0.025 A ATOM 6 C LIG 1 -2.815 -3.363 -1.474 0.00 0.00 +0.005 A ATOM 7 C LIG 1 -1.819 -4.075 -0.793 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -4.697 -1.681 -1.586 0.00 0.00 +0.182 C ATOM 9 N LIG 1 -5.056 -0.317 -1.178 0.00 0.00 -0.225 N ATOM 10 N LIG 1 -4.105 0.453 -0.547 0.00 0.00 -0.168 NA ATOM 11 C LIG 1 -4.399 1.671 -0.215 0.00 0.00 +0.092 A ATOM 12 C LIG 1 -5.689 2.318 -0.524 0.00 0.00 +0.035 A ATOM 13 C LIG 1 -6.575 1.585 -1.200 0.00 0.00 +0.074 A ATOM 14 C LIG 1 -3.396 2.450 0.570 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -2.553 1.726 1.424 0.00 0.00 +0.015 A ATOM 16 C LIG 1 -1.538 2.349 2.167 0.00 0.00 -0.027 A ATOM 17 C LIG 1 -1.413 3.740 2.074 0.00 0.00 +0.005 A ATOM 18 C LIG 1 -2.258 4.474 1.233 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -0.609 1.529 3.039 0.00 0.00 +0.160 C ATOM 20 N LIG 1 0.035 0.465 2.278 0.00 0.00 -0.307 N ATOM 21 C LIG 1 -0.411 -0.836 2.142 0.00 0.00 +0.204 A ATOM 22 N LIG 1 0.243 -1.447 1.181 0.00 0.00 -0.214 NA ATOM 23 C LIG 1 1.177 -0.556 0.726 0.00 0.00 +0.091 A ATOM 24 C LIG 1 2.142 -0.717 -0.280 0.00 0.00 +0.034 A ATOM 25 C LIG 1 3.004 0.352 -0.583 0.00 0.00 -0.031 A ATOM 26 C LIG 1 2.881 1.562 0.121 0.00 0.00 +0.007 A ATOM 27 C LIG 1 1.921 1.740 1.124 0.00 0.00 +0.028 A ATOM 28 C LIG 1 1.087 0.652 1.405 0.00 0.00 +0.070 A ATOM 29 C LIG 1 -3.243 3.833 0.474 0.00 0.00 +0.010 A ATOM 30 C LIG 1 -6.277 0.193 -1.602 0.00 0.00 +0.268 A ATOM 31 O LIG 1 -7.110 -0.424 -2.261 0.00 0.00 -0.266 OA ATOM 32 C LIG 1 -1.577 -3.828 0.557 0.00 0.00 +0.013 A ATOM 33 N LIG 1 -1.393 -1.384 2.935 0.00 0.00 -0.252 N ATOM 34 H LIG 1 -1.515 -1.051 3.878 0.00 0.00 +0.158 HD ENDROOT BRANCH 25 35 ATOM 35 C LIG 1 4.048 0.202 -1.670 0.00 0.00 +0.119 C BRANCH 35 36 ATOM 36 N LIG 1 5.425 0.372 -1.178 0.00 0.00 -0.294 NA ATOM 37 C LIG 1 5.790 -0.691 -0.211 0.00 0.00 +0.113 C ATOM 38 C LIG 1 7.310 -0.900 -0.137 0.00 0.00 +0.175 C ATOM 39 O LIG 1 7.866 -1.359 -1.377 0.00 0.00 -0.377 OA ATOM 40 C LIG 1 7.128 -0.916 -2.523 0.00 0.00 +0.175 C ATOM 41 C LIG 1 6.398 0.416 -2.291 0.00 0.00 +0.113 C ENDBRANCH 35 36 ENDBRANCH 25 35 TORSDOF 2