REMARK Name = BDB037691 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.826 2.149 -1.730 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -1.635 1.076 -1.331 0.00 0.00 +0.136 A ATOM 3 C LIG 1 -1.188 -0.021 -0.623 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -2.359 -0.705 -0.186 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -3.454 -0.036 -0.595 0.00 0.00 -0.160 NA ATOM 6 C LIG 1 0.259 -0.279 -0.378 0.00 0.00 +0.084 C ATOM 7 C LIG 1 1.101 0.542 -1.381 0.00 0.00 +0.173 C ATOM 8 N LIG 1 -2.999 0.876 -1.495 0.00 0.00 -0.217 N ATOM 9 C LIG 1 0.565 1.983 -1.585 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.358 2.927 -1.694 0.00 0.00 -0.273 OA ENDROOT BRANCH 7 11 ATOM 11 N LIG 1 2.521 0.625 -1.031 0.00 0.00 -0.287 N ATOM 12 H LIG 1 2.946 1.522 -1.226 0.00 0.00 +0.151 HD ATOM 13 C LIG 1 3.329 -0.472 -1.120 0.00 0.00 +0.303 C ATOM 14 N LIG 1 4.641 -0.268 -0.727 0.00 0.00 -0.285 N ATOM 15 C LIG 1 5.556 -1.414 -0.713 0.00 0.00 +0.121 C ATOM 16 C LIG 1 6.154 -1.600 0.678 0.00 0.00 +0.110 C ATOM 17 C LIG 1 6.911 -0.339 1.141 0.00 0.00 +0.015 C ATOM 18 C LIG 1 6.577 0.903 0.315 0.00 0.00 +0.020 C ATOM 19 C LIG 1 5.103 0.957 -0.068 0.00 0.00 +0.109 C ATOM 20 O LIG 1 2.893 -1.560 -1.486 0.00 0.00 -0.253 OA BRANCH 16 21 ATOM 21 C LIG 1 7.050 -2.821 0.696 0.00 0.00 +0.394 C ATOM 22 F LIG 1 8.080 -2.690 -0.168 0.00 0.00 -0.170 F ATOM 23 F LIG 1 6.371 -3.938 0.360 0.00 0.00 -0.170 F ATOM 24 F LIG 1 7.571 -3.019 1.927 0.00 0.00 -0.170 F ENDBRANCH 16 21 ENDBRANCH 7 11 BRANCH 4 25 ATOM 25 C LIG 1 -2.403 -1.951 0.613 0.00 0.00 +0.268 C ATOM 26 N LIG 1 -3.554 -2.283 1.315 0.00 0.00 -0.280 N ATOM 27 C LIG 1 -3.559 -3.459 2.182 0.00 0.00 +0.179 C ATOM 28 C LIG 1 -4.677 -3.159 3.184 0.00 0.00 +0.039 C ATOM 29 C LIG 1 -5.670 -2.341 2.367 0.00 0.00 +0.022 C ATOM 30 C LIG 1 -4.774 -1.501 1.465 0.00 0.00 +0.109 C ATOM 31 O LIG 1 -1.418 -2.688 0.674 0.00 0.00 -0.268 OA BRANCH 27 32 ATOM 32 C LIG 1 -3.833 -4.703 1.427 0.00 0.00 +0.085 C ATOM 33 N LIG 1 -4.085 -5.683 0.856 0.00 0.00 -0.195 NA ENDBRANCH 27 32 ENDBRANCH 4 25 BRANCH 6 34 ATOM 34 C LIG 1 0.517 0.021 1.098 0.00 0.00 -0.037 A ATOM 35 C LIG 1 1.040 -1.007 1.908 0.00 0.00 +0.007 A ATOM 36 C LIG 1 1.319 -0.791 3.258 0.00 0.00 +0.038 A ATOM 37 C LIG 1 1.084 0.459 3.811 0.00 0.00 +0.123 A ATOM 38 F LIG 1 1.352 0.670 5.106 0.00 0.00 -0.205 F ATOM 39 C LIG 1 0.576 1.495 3.039 0.00 0.00 +0.038 A ATOM 40 C LIG 1 0.296 1.279 1.687 0.00 0.00 +0.007 A ENDBRANCH 6 34 BRANCH 8 41 ATOM 41 C LIG 1 -3.882 1.340 -2.510 0.00 0.00 +0.067 A ATOM 42 C LIG 1 -5.267 1.301 -2.288 0.00 0.00 +0.028 A ATOM 43 C LIG 1 -6.148 1.721 -3.286 0.00 0.00 +0.002 A ATOM 44 C LIG 1 -5.656 2.161 -4.513 0.00 0.00 +0.000 A ATOM 45 C LIG 1 -4.283 2.172 -4.751 0.00 0.00 +0.002 A ATOM 46 C LIG 1 -3.395 1.754 -3.757 0.00 0.00 +0.028 A ENDBRANCH 8 41 BRANCH 1 48 ATOM 47 C LIG 1 -1.367 4.279 -0.572 0.00 0.00 +0.025 C ATOM 48 C LIG 1 -1.315 3.524 -1.894 0.00 0.00 +0.112 C ENDBRANCH 1 48 TORSDOF 7