REMARK Name = BDB007630 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.088 -1.085 -0.828 0.00 0.00 -0.033 A ATOM 2 C LIG 1 0.383 -0.848 0.363 0.00 0.00 +0.018 A ATOM 3 C LIG 1 -0.747 -1.610 0.680 0.00 0.00 +0.037 A ATOM 4 C LIG 1 -1.165 -2.635 -0.173 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -0.480 -2.869 -1.364 0.00 0.00 +0.001 A ATOM 6 C LIG 1 0.633 -2.092 -1.694 0.00 0.00 +0.005 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.484 -1.397 1.944 0.00 0.00 +0.244 C ATOM 8 N LIG 1 -1.847 -0.128 2.320 0.00 0.00 -0.309 N ATOM 9 H LIG 1 -2.383 -0.118 3.183 0.00 0.00 +0.149 HD ATOM 10 O LIG 1 -1.784 -2.363 2.639 0.00 0.00 -0.270 OA BRANCH 8 11 ATOM 11 C LIG 1 -2.059 1.038 1.468 0.00 0.00 +0.137 C BRANCH 11 12 ATOM 12 C LIG 1 -3.545 1.275 1.148 0.00 0.00 +0.145 C BRANCH 12 13 ATOM 13 O LIG 1 -4.278 1.425 2.373 0.00 0.00 -0.389 OA ATOM 14 H LIG 1 -5.211 1.254 2.124 0.00 0.00 +0.210 HD ENDBRANCH 12 13 BRANCH 12 15 ATOM 15 C LIG 1 -4.177 0.140 0.315 0.00 0.00 +0.117 C BRANCH 15 16 ATOM 16 N LIG 1 -5.626 0.371 0.105 0.00 0.00 -0.295 NA ATOM 17 C LIG 1 -6.277 -0.901 -0.282 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -7.732 -0.748 -0.674 0.00 0.00 -0.030 A ATOM 19 C LIG 1 -8.246 0.497 -1.074 0.00 0.00 -0.042 A ATOM 20 C LIG 1 -9.588 0.607 -1.461 0.00 0.00 +0.004 A ATOM 21 C LIG 1 -10.410 -0.520 -1.478 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -9.899 -1.760 -1.102 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -7.370 1.722 -1.020 0.00 0.00 +0.051 C ATOM 24 C LIG 1 -8.567 -1.875 -0.705 0.00 0.00 +0.005 A ATOM 25 C LIG 1 -5.876 1.375 -0.946 0.00 0.00 +0.089 C ENDBRANCH 15 16 ENDBRANCH 12 15 ENDBRANCH 11 12 ENDBRANCH 8 11 ENDBRANCH 3 7 BRANCH 1 26 ATOM 26 C LIG 1 2.293 -0.245 -1.203 0.00 0.00 +0.119 C BRANCH 26 30 ATOM 27 N LIG 1 6.265 -0.198 0.189 0.00 0.00 -0.298 NA ATOM 28 C LIG 1 5.452 1.017 0.434 0.00 0.00 +0.100 C ATOM 29 C LIG 1 4.172 1.062 -0.426 0.00 0.00 +0.100 C ATOM 30 N LIG 1 3.227 -0.022 -0.089 0.00 0.00 -0.296 NA ATOM 31 C LIG 1 3.944 -1.251 0.316 0.00 0.00 +0.100 C ATOM 32 C LIG 1 5.403 -1.341 -0.186 0.00 0.00 +0.100 C BRANCH 27 33 ATOM 33 C LIG 1 7.106 -0.524 1.364 0.00 0.00 +0.103 C BRANCH 33 34 ATOM 34 C LIG 1 8.171 0.546 1.662 0.00 0.00 +0.119 C BRANCH 34 37 ATOM 35 C LIG 1 10.630 2.030 -0.806 0.00 0.00 +0.109 C ATOM 36 C LIG 1 10.030 1.698 0.534 0.00 0.00 +0.210 C ATOM 37 N LIG 1 8.941 0.864 0.474 0.00 0.00 -0.314 N ATOM 38 H LIG 1 8.453 0.741 -0.406 0.00 0.00 +0.149 HD ATOM 39 O LIG 1 10.495 2.132 1.582 0.00 0.00 -0.276 OA ENDBRANCH 34 37 ENDBRANCH 33 34 ENDBRANCH 27 33 ENDBRANCH 26 30 ENDBRANCH 1 26 TORSDOF 11