REMARK Name = BDB030483 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.318 -0.246 -0.786 0.00 0.00 +0.159 A ATOM 2 C LIG 1 -1.629 -0.622 -0.521 0.00 0.00 +0.203 A ATOM 3 F LIG 1 -2.296 -0.085 0.514 0.00 0.00 -0.198 F ATOM 4 C LIG 1 -2.222 -1.562 -1.358 0.00 0.00 +0.163 A ATOM 5 N LIG 1 -1.540 -2.123 -2.380 0.00 0.00 -0.218 NA ATOM 6 C LIG 1 -0.276 -1.710 -2.544 0.00 0.00 +0.225 A ATOM 7 N LIG 1 0.369 -0.799 -1.801 0.00 0.00 -0.218 NA ENDROOT BRANCH 1 8 ATOM 8 N LIG 1 0.310 0.681 0.074 0.00 0.00 -0.326 N ATOM 9 H LIG 1 -0.347 1.438 0.253 0.00 0.00 +0.148 HD BRANCH 8 10 ATOM 10 C LIG 1 1.624 1.175 -0.346 0.00 0.00 +0.109 C BRANCH 10 15 ATOM 11 N LIG 1 5.246 -0.405 1.480 0.00 0.00 -0.291 NA ATOM 12 C LIG 1 5.254 -0.109 0.037 0.00 0.00 +0.122 C ATOM 13 C LIG 1 4.090 0.761 -0.451 0.00 0.00 +0.185 C ATOM 14 F LIG 1 4.073 0.748 -1.814 0.00 0.00 -0.244 F ATOM 15 C LIG 1 2.757 0.226 0.072 0.00 0.00 +0.042 C ATOM 16 C LIG 1 2.808 -0.001 1.598 0.00 0.00 +0.023 C ATOM 17 C LIG 1 4.182 0.276 2.217 0.00 0.00 +0.085 C BRANCH 11 18 ATOM 18 C LIG 1 6.574 -0.255 2.103 0.00 0.00 +0.180 C BRANCH 18 22 ATOM 19 N LIG 1 8.075 1.394 3.111 0.00 0.00 -0.328 N ATOM 20 H LIG 1 8.291 0.718 3.830 0.00 0.00 +0.145 HD ATOM 21 H LIG 1 8.380 2.350 3.248 0.00 0.00 +0.145 HD ATOM 22 C LIG 1 7.076 1.195 2.197 0.00 0.00 +0.225 C ATOM 23 O LIG 1 6.673 2.136 1.520 0.00 0.00 -0.275 OA ENDBRANCH 18 22 ENDBRANCH 11 18 ENDBRANCH 10 15 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 4 24 ATOM 24 N LIG 1 -3.579 -1.954 -1.125 0.00 0.00 -0.304 N BRANCH 24 25 ATOM 25 C LIG 1 -3.823 -3.411 -1.262 0.00 0.00 +0.075 C ATOM 26 C LIG 1 -3.490 -4.345 -0.131 0.00 0.00 +0.024 C ATOM 27 C LIG 1 -4.924 -4.074 -0.478 0.00 0.00 +0.024 C ENDBRANCH 24 25 BRANCH 24 28 ATOM 28 C LIG 1 -4.457 -1.146 -2.005 0.00 0.00 +0.162 C BRANCH 28 29 ATOM 29 C LIG 1 -4.670 0.267 -1.490 0.00 0.00 +0.059 A ATOM 30 N LIG 1 -4.208 1.293 -2.251 0.00 0.00 -0.258 NA ATOM 31 C LIG 1 -4.389 2.551 -1.785 0.00 0.00 +0.123 A ATOM 32 C LIG 1 -5.021 2.853 -0.589 0.00 0.00 +0.073 A ATOM 33 C LIG 1 -5.488 1.784 0.181 0.00 0.00 +0.016 A ATOM 34 C LIG 1 -5.314 0.479 -0.272 0.00 0.00 +0.025 A BRANCH 32 35 ATOM 35 C LIG 1 -5.150 4.276 -0.145 0.00 0.00 +0.419 C ATOM 36 F LIG 1 -4.056 4.705 0.542 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -5.305 5.146 -1.181 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -6.215 4.487 0.678 0.00 0.00 -0.166 F ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 24 28 ENDBRANCH 4 24 TORSDOF 10