REMARK Name = BDB022349 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.262 -0.872 -0.368 0.00 0.00 +0.033 A ATOM 2 C LIG 1 -1.636 -0.606 -0.475 0.00 0.00 +0.035 A ATOM 3 C LIG 1 -2.287 0.371 0.313 0.00 0.00 +0.021 A ATOM 4 C LIG 1 -3.752 0.621 0.183 0.00 0.00 +0.042 A ATOM 5 C LIG 1 -4.247 1.668 0.857 0.00 0.00 +0.093 A ATOM 6 C LIG 1 -3.453 2.525 1.761 0.00 0.00 +0.253 A ATOM 7 N LIG 1 -2.124 2.189 1.947 0.00 0.00 -0.311 N ATOM 8 C LIG 1 -1.334 2.994 2.864 0.00 0.00 +0.152 C ATOM 9 O LIG 1 -4.020 3.466 2.314 0.00 0.00 -0.268 OA ATOM 10 C LIG 1 -1.516 1.127 1.215 0.00 0.00 +0.054 A ATOM 11 C LIG 1 -0.152 0.832 1.359 0.00 0.00 +0.028 A ATOM 12 C LIG 1 0.457 -0.165 0.591 0.00 0.00 +0.025 A ENDROOT BRANCH 1 13 ATOM 13 N LIG 1 0.301 -1.896 -1.155 0.00 0.00 -0.298 N ATOM 14 H LIG 1 -0.328 -2.228 -1.880 0.00 0.00 +0.154 HD BRANCH 13 17 ATOM 15 C LIG 1 3.854 -1.350 -1.675 0.00 0.00 +0.220 A ATOM 16 N LIG 1 2.579 -1.147 -1.303 0.00 0.00 -0.198 NA ATOM 17 C LIG 1 1.648 -2.088 -1.565 0.00 0.00 +0.147 A ATOM 18 C LIG 1 1.992 -3.269 -2.208 0.00 0.00 +0.099 A ATOM 19 CL LIG 1 0.859 -4.505 -2.588 0.00 0.00 -0.078 Cl ATOM 20 C LIG 1 3.314 -3.404 -2.551 0.00 0.00 +0.137 A ATOM 21 N LIG 1 4.250 -2.469 -2.298 0.00 0.00 -0.221 NA BRANCH 15 28 ATOM 22 C LIG 1 5.169 2.883 0.530 0.00 0.00 +0.039 C ATOM 23 C LIG 1 5.567 1.699 -0.341 0.00 0.00 +0.133 C ATOM 24 O LIG 1 6.651 1.024 0.321 0.00 0.00 -0.371 OA ATOM 25 C LIG 1 6.927 -0.295 -0.189 0.00 0.00 +0.133 C ATOM 26 C LIG 1 6.621 -1.302 0.918 0.00 0.00 +0.039 C ATOM 27 C LIG 1 6.208 -0.648 -1.512 0.00 0.00 +0.139 C ATOM 28 N LIG 1 4.777 -0.359 -1.431 0.00 0.00 -0.295 N ATOM 29 C LIG 1 4.369 0.761 -0.582 0.00 0.00 +0.139 C ENDBRANCH 15 28 ENDBRANCH 13 17 ENDBRANCH 1 13 BRANCH 4 30 ATOM 30 N LIG 1 -4.481 -0.264 -0.610 0.00 0.00 -0.340 N ATOM 31 H LIG 1 -4.157 -1.218 -0.467 0.00 0.00 +0.146 HD BRANCH 30 32 ATOM 32 C LIG 1 -5.898 -0.271 -0.967 0.00 0.00 +0.070 C ATOM 33 C LIG 1 -6.323 0.982 -1.722 0.00 0.00 +0.028 C BRANCH 32 34 ATOM 34 C LIG 1 -6.756 -0.553 0.236 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -6.780 -1.931 0.854 0.00 0.00 +0.005 C ATOM 36 C LIG 1 -7.986 -1.421 0.116 0.00 0.00 +0.005 C ENDBRANCH 32 34 ENDBRANCH 30 32 ENDBRANCH 4 30 TORSDOF 6