REMARK Name = BDB058077 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.187 -1.003 -0.632 0.00 0.00 +0.252 C ATOM 2 C LIG 1 -2.152 -1.827 0.222 0.00 0.00 +0.195 C ATOM 3 C LIG 1 -3.472 -1.571 -0.489 0.00 0.00 +0.179 C ATOM 4 C LIG 1 -3.357 -0.124 -0.963 0.00 0.00 +0.185 C ATOM 5 O LIG 1 -1.942 0.085 -1.227 0.00 0.00 -0.345 OA ENDROOT BRANCH 1 10 ATOM 6 C LIG 1 3.339 -0.678 1.119 0.00 0.00 +0.131 A ATOM 7 C LIG 1 2.006 -0.257 0.950 0.00 0.00 +0.059 A ATOM 8 C LIG 1 1.208 0.825 1.417 0.00 0.00 +0.033 A ATOM 9 C LIG 1 -0.052 0.680 0.877 0.00 0.00 +0.091 A ATOM 10 N LIG 1 -0.056 -0.459 0.106 0.00 0.00 -0.303 N ATOM 11 C LIG 1 1.193 -1.033 0.136 0.00 0.00 +0.148 A ATOM 12 N LIG 1 1.553 -2.154 -0.512 0.00 0.00 -0.218 NA ATOM 13 C LIG 1 2.832 -2.475 -0.268 0.00 0.00 +0.225 A ATOM 14 N LIG 1 3.732 -1.809 0.482 0.00 0.00 -0.220 NA BRANCH 6 15 ATOM 15 N LIG 1 4.241 0.035 1.910 0.00 0.00 -0.324 N ATOM 16 H LIG 1 4.000 1.022 1.945 0.00 0.00 +0.148 HD BRANCH 15 17 ATOM 17 C LIG 1 5.663 -0.174 1.611 0.00 0.00 +0.164 C BRANCH 17 18 ATOM 18 C LIG 1 6.089 0.444 0.255 0.00 0.00 +0.266 C BRANCH 18 20 ATOM 19 C LIG 1 6.046 2.503 -0.913 0.00 0.00 +0.197 C ATOM 20 O LIG 1 5.843 1.861 0.337 0.00 0.00 -0.353 OA ENDBRANCH 18 20 BRANCH 18 21 ATOM 21 O LIG 1 7.480 0.210 0.013 0.00 0.00 -0.353 OA ATOM 22 C LIG 1 7.720 -1.058 -0.581 0.00 0.00 +0.197 C ENDBRANCH 18 21 ENDBRANCH 17 18 ENDBRANCH 15 17 ENDBRANCH 6 15 ENDBRANCH 1 10 BRANCH 2 23 ATOM 23 O LIG 1 -1.853 -3.224 0.246 0.00 0.00 -0.385 OA ATOM 24 H LIG 1 -2.359 -3.625 -0.490 0.00 0.00 +0.210 HD ENDBRANCH 2 23 BRANCH 3 25 ATOM 25 O LIG 1 -3.554 -2.474 -1.616 0.00 0.00 -0.386 OA ATOM 26 H LIG 1 -3.092 -2.071 -2.376 0.00 0.00 +0.210 HD ENDBRANCH 3 25 BRANCH 4 27 ATOM 27 C LIG 1 -3.854 0.944 0.040 0.00 0.00 +0.176 C BRANCH 27 28 ATOM 28 C LIG 1 -5.349 1.178 -0.059 0.00 0.00 -0.017 A ATOM 29 C LIG 1 -6.267 0.421 0.687 0.00 0.00 +0.007 A ATOM 30 C LIG 1 -7.641 0.644 0.564 0.00 0.00 +0.020 A ATOM 31 C LIG 1 -8.109 1.624 -0.308 0.00 0.00 +0.041 A ATOM 32 CL LIG 1 -9.800 1.898 -0.459 0.00 0.00 -0.084 Cl ATOM 33 C LIG 1 -7.214 2.382 -1.059 0.00 0.00 +0.020 A ATOM 34 C LIG 1 -5.840 2.159 -0.937 0.00 0.00 +0.007 A ENDBRANCH 27 28 BRANCH 27 35 ATOM 35 O LIG 1 -3.499 0.610 1.381 0.00 0.00 -0.385 OA ATOM 36 H LIG 1 -3.907 1.282 1.958 0.00 0.00 +0.210 HD ENDBRANCH 27 35 ENDBRANCH 4 27 TORSDOF 11