REMARK Name = BDB018237 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.954 0.275 -1.367 0.00 0.00 -0.264 N ATOM 2 N LIG 1 0.632 -0.811 -2.107 0.00 0.00 -0.178 NA ATOM 3 C LIG 1 -0.680 -0.956 -1.909 0.00 0.00 +0.143 A ATOM 4 C LIG 1 -1.206 0.024 -1.043 0.00 0.00 +0.022 A ATOM 5 C LIG 1 -0.125 0.806 -0.705 0.00 0.00 +0.117 A ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 -2.548 0.185 -0.569 0.00 0.00 +0.020 A ATOM 7 C LIG 1 -3.695 0.335 -1.464 0.00 0.00 +0.055 A ATOM 8 CL LIG 1 -3.469 0.410 -3.183 0.00 0.00 -0.083 Cl ATOM 9 C LIG 1 -4.943 0.456 -0.993 0.00 0.00 +0.091 A ATOM 10 C LIG 1 -5.199 0.445 0.465 0.00 0.00 +0.252 A ATOM 11 O LIG 1 -6.353 0.545 0.868 0.00 0.00 -0.268 OA ATOM 12 N LIG 1 -4.076 0.325 1.275 0.00 0.00 -0.318 N ATOM 13 C LIG 1 -4.241 0.304 2.721 0.00 0.00 +0.152 C ATOM 14 C LIG 1 -2.799 0.195 0.756 0.00 0.00 +0.098 A ENDBRANCH 4 6 BRANCH 1 16 ATOM 15 C LIG 1 3.148 0.472 -2.575 0.00 0.00 +0.038 C ATOM 16 C LIG 1 2.328 0.787 -1.319 0.00 0.00 +0.134 C BRANCH 16 17 ATOM 17 C LIG 1 3.032 0.323 -0.052 0.00 0.00 -0.023 A ATOM 18 C LIG 1 3.209 -1.042 0.227 0.00 0.00 +0.006 A ATOM 19 C LIG 1 3.861 -1.453 1.390 0.00 0.00 +0.000 A ATOM 20 C LIG 1 4.347 -0.506 2.289 0.00 0.00 +0.000 A ATOM 21 C LIG 1 4.183 0.852 2.025 0.00 0.00 +0.000 A ATOM 22 C LIG 1 3.530 1.266 0.862 0.00 0.00 +0.006 A ENDBRANCH 16 17 ENDBRANCH 1 16 TORSDOF 3