REMARK Name = BDB058237 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.517 0.577 -0.728 0.00 0.00 +0.035 A ATOM 2 C LIG 1 4.757 -0.798 -0.664 0.00 0.00 +0.027 A ATOM 3 C LIG 1 3.760 -1.630 -0.172 0.00 0.00 -0.040 A ATOM 4 C LIG 1 3.828 -3.113 0.024 0.00 0.00 +0.038 C ATOM 5 C LIG 1 2.345 -3.474 0.205 0.00 0.00 +0.045 C ATOM 6 C LIG 1 1.664 -2.227 0.788 0.00 0.00 +0.138 C ATOM 7 C LIG 1 0.180 -2.123 0.426 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -0.305 -2.144 -0.697 0.00 0.00 -0.272 OA ATOM 9 N LIG 1 -0.520 -1.972 1.593 0.00 0.00 -0.215 N ATOM 10 C LIG 1 0.321 -1.957 2.663 0.00 0.00 +0.310 C ATOM 11 O LIG 1 0.030 -1.740 3.827 0.00 0.00 -0.252 OA ATOM 12 N LIG 1 1.599 -2.226 2.225 0.00 0.00 -0.281 N ATOM 13 H LIG 1 2.383 -2.032 2.833 0.00 0.00 +0.152 HD ATOM 14 C LIG 1 2.533 -1.119 0.265 0.00 0.00 -0.012 A ATOM 15 C LIG 1 2.281 0.242 0.214 0.00 0.00 +0.008 A ATOM 16 C LIG 1 3.276 1.085 -0.292 0.00 0.00 +0.024 A ENDROOT BRANCH 1 21 ATOM 17 C LIG 1 8.686 2.381 -2.589 0.00 0.00 +0.129 C ATOM 18 N LIG 1 7.325 2.423 -2.112 0.00 0.00 -0.302 N ATOM 19 H LIG 1 6.684 2.985 -2.654 0.00 0.00 +0.150 HD ATOM 20 C LIG 1 6.766 1.281 -1.567 0.00 0.00 +0.304 C ATOM 21 N LIG 1 5.450 1.508 -1.225 0.00 0.00 -0.269 N ATOM 22 H LIG 1 5.179 2.479 -1.194 0.00 0.00 +0.156 HD ATOM 23 O LIG 1 7.399 0.245 -1.418 0.00 0.00 -0.253 OA ENDBRANCH 1 21 BRANCH 9 24 ATOM 24 C LIG 1 -1.931 -1.667 1.660 0.00 0.00 +0.213 C BRANCH 24 25 ATOM 25 C LIG 1 -2.147 -0.161 1.498 0.00 0.00 +0.234 C ATOM 26 N LIG 1 -3.445 0.329 1.354 0.00 0.00 -0.281 N ATOM 27 C LIG 1 -4.721 -0.444 1.261 0.00 0.00 +0.218 C ATOM 28 C LIG 1 -4.947 -0.953 -0.167 0.00 0.00 +0.260 C ATOM 29 O LIG 1 -4.381 -0.100 -1.177 0.00 0.00 -0.489 OA ATOM 30 C LIG 1 -4.869 1.177 -1.135 0.00 0.00 +0.125 A ATOM 31 C LIG 1 -4.517 2.082 -0.119 0.00 0.00 +0.014 A ATOM 32 C LIG 1 -5.031 3.388 -0.195 0.00 0.00 +0.047 A ATOM 33 C LIG 1 -5.862 3.761 -1.248 0.00 0.00 +0.124 A ATOM 34 C LIG 1 -6.192 2.862 -2.254 0.00 0.00 +0.042 A ATOM 35 F LIG 1 -6.342 5.010 -1.296 0.00 0.00 -0.205 F ATOM 36 C LIG 1 -5.685 1.566 -2.202 0.00 0.00 +0.049 A ATOM 37 C LIG 1 -3.570 1.754 1.021 0.00 0.00 +0.147 C ATOM 38 O LIG 1 -1.179 0.609 1.515 0.00 0.00 -0.274 OA BRANCH 27 39 ATOM 39 C LIG 1 -5.039 -1.540 2.282 0.00 0.00 +0.411 C ATOM 40 F LIG 1 -4.710 -1.156 3.534 0.00 0.00 -0.168 F ATOM 41 F LIG 1 -4.396 -2.696 2.019 0.00 0.00 -0.168 F ATOM 42 F LIG 1 -6.364 -1.817 2.277 0.00 0.00 -0.168 F ENDBRANCH 27 39 ENDBRANCH 24 25 ENDBRANCH 9 24 TORSDOF 4