REMARK Name = BDB058029 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.872 0.889 0.854 0.00 0.00 -0.021 A ATOM 2 C LIG 1 2.732 0.849 -0.541 0.00 0.00 +0.009 A ATOM 3 C LIG 1 1.585 0.302 -1.122 0.00 0.00 +0.013 A ATOM 4 C LIG 1 0.561 -0.184 -0.306 0.00 0.00 +0.037 A ATOM 5 C LIG 1 0.692 -0.157 1.085 0.00 0.00 +0.013 A ATOM 6 C LIG 1 1.840 0.393 1.661 0.00 0.00 +0.009 A ENDROOT BRANCH 1 13 ATOM 7 C LIG 1 7.896 -0.625 -0.544 0.00 0.00 +0.079 A ATOM 8 C LIG 1 7.074 0.161 0.244 0.00 0.00 +0.152 A ATOM 9 O LIG 1 5.697 0.199 0.224 0.00 0.00 -0.451 OA ATOM 10 C LIG 1 5.318 1.133 1.180 0.00 0.00 +0.176 C ATOM 11 C LIG 1 6.508 1.718 1.846 0.00 0.00 +0.231 C ATOM 12 O LIG 1 6.562 2.549 2.724 0.00 0.00 -0.283 OA ATOM 13 C LIG 1 4.059 1.466 1.492 0.00 0.00 +0.058 C ATOM 14 C LIG 1 7.617 1.042 1.183 0.00 0.00 +0.068 A ATOM 15 C LIG 1 8.976 1.186 1.383 0.00 0.00 +0.015 A ATOM 16 C LIG 1 9.819 0.404 0.595 0.00 0.00 +0.002 A ATOM 17 C LIG 1 9.286 -0.489 -0.357 0.00 0.00 +0.017 A BRANCH 7 21 ATOM 18 N LIG 1 6.060 -1.778 -1.683 0.00 0.00 -0.325 N ATOM 19 H LIG 1 5.374 -1.343 -1.080 0.00 0.00 +0.145 HD ATOM 20 H LIG 1 5.741 -2.466 -2.353 0.00 0.00 +0.145 HD ATOM 21 C LIG 1 7.406 -1.587 -1.565 0.00 0.00 +0.245 C ATOM 22 O LIG 1 8.186 -2.203 -2.281 0.00 0.00 -0.270 OA ENDBRANCH 7 21 ENDBRANCH 1 13 BRANCH 4 23 ATOM 23 C LIG 1 -0.628 -0.792 -0.940 0.00 0.00 +0.247 C ATOM 24 N LIG 1 -1.896 -0.289 -0.633 0.00 0.00 -0.288 N ATOM 25 C LIG 1 -2.079 1.106 -0.201 0.00 0.00 +0.184 C ATOM 26 C LIG 1 -3.480 1.374 0.216 0.00 0.00 +0.151 A ATOM 27 N LIG 1 -3.960 2.470 0.758 0.00 0.00 -0.133 NA ATOM 28 N LIG 1 -5.304 2.284 0.960 0.00 0.00 -0.134 NA ATOM 29 C LIG 1 -5.635 1.076 0.541 0.00 0.00 +0.137 A ATOM 30 N LIG 1 -4.503 0.476 0.055 0.00 0.00 -0.312 N ATOM 31 C LIG 1 -4.301 -0.845 -0.492 0.00 0.00 +0.144 C ATOM 32 C LIG 1 -3.030 -0.897 -1.334 0.00 0.00 +0.130 C ATOM 33 O LIG 1 -0.441 -1.729 -1.712 0.00 0.00 -0.270 OA BRANCH 29 34 ATOM 34 C LIG 1 -7.016 0.512 0.606 0.00 0.00 +0.057 C ATOM 35 C LIG 1 -7.135 -0.846 1.312 0.00 0.00 +0.011 C ATOM 36 C LIG 1 -7.822 -1.775 0.315 0.00 0.00 +0.001 C ATOM 37 C LIG 1 -8.613 -0.841 -0.585 0.00 0.00 +0.001 C ATOM 38 C LIG 1 -7.680 0.347 -0.765 0.00 0.00 +0.011 C ENDBRANCH 29 34 ENDBRANCH 4 23 TORSDOF 4