REMARK Name = BDB022364 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.918 1.175 -0.161 0.00 0.00 +0.032 A ATOM 2 C LIG 1 -0.285 0.469 -0.024 0.00 0.00 +0.035 A ATOM 3 C LIG 1 -0.914 -0.171 -1.114 0.00 0.00 +0.021 A ATOM 4 C LIG 1 -2.204 -0.894 -0.950 0.00 0.00 +0.042 A ATOM 5 C LIG 1 -2.667 -1.579 -2.005 0.00 0.00 +0.093 A ATOM 6 C LIG 1 -2.009 -1.597 -3.326 0.00 0.00 +0.253 A ATOM 7 N LIG 1 -0.858 -0.842 -3.471 0.00 0.00 -0.311 N ATOM 8 C LIG 1 -0.212 -0.825 -4.774 0.00 0.00 +0.152 C ATOM 9 O LIG 1 -2.526 -2.263 -4.222 0.00 0.00 -0.268 OA ATOM 10 C LIG 1 -0.282 -0.138 -2.372 0.00 0.00 +0.054 A ATOM 11 C LIG 1 0.921 0.573 -2.512 0.00 0.00 +0.028 A ATOM 12 C LIG 1 1.510 1.219 -1.421 0.00 0.00 +0.025 A ENDROOT BRANCH 1 13 ATOM 13 N LIG 1 1.504 1.756 0.979 0.00 0.00 -0.313 N ATOM 14 H LIG 1 0.820 2.017 1.688 0.00 0.00 +0.152 HD BRANCH 13 20 ATOM 15 C LIG 1 5.202 1.489 1.093 0.00 0.00 +0.129 A ATOM 16 N LIG 1 5.564 2.514 1.895 0.00 0.00 -0.229 NA ATOM 17 C LIG 1 4.571 3.271 2.403 0.00 0.00 +0.149 A ATOM 18 CL LIG 1 5.159 4.546 3.401 0.00 0.00 -0.061 Cl ATOM 19 C LIG 1 3.220 3.069 2.151 0.00 0.00 +0.110 A ATOM 20 C LIG 1 2.856 1.997 1.314 0.00 0.00 +0.054 A ATOM 21 C LIG 1 3.879 1.203 0.778 0.00 0.00 +0.057 A BRANCH 15 25 ATOM 22 C LIG 1 7.216 -0.602 -1.350 0.00 0.00 +0.128 C ATOM 23 N LIG 1 6.147 0.131 -0.716 0.00 0.00 -0.313 N ATOM 24 H LIG 1 5.440 0.535 -1.315 0.00 0.00 +0.149 HD ATOM 25 C LIG 1 6.317 0.638 0.564 0.00 0.00 +0.262 C ATOM 26 O LIG 1 7.319 0.427 1.238 0.00 0.00 -0.269 OA ENDBRANCH 15 25 BRANCH 19 27 ATOM 27 C LIG 1 2.232 3.928 2.721 0.00 0.00 +0.104 C ATOM 28 N LIG 1 1.389 4.588 3.169 0.00 0.00 -0.191 NA ENDBRANCH 19 27 ENDBRANCH 13 20 ENDBRANCH 1 13 BRANCH 4 29 ATOM 29 N LIG 1 -2.848 -0.812 0.281 0.00 0.00 -0.338 N ATOM 30 H LIG 1 -2.735 0.105 0.720 0.00 0.00 +0.146 HD BRANCH 29 31 ATOM 31 C LIG 1 -4.169 -1.359 0.616 0.00 0.00 +0.099 C ATOM 32 C LIG 1 -4.686 -0.733 1.930 0.00 0.00 +0.138 C ATOM 33 C LIG 1 -3.900 -1.475 3.010 0.00 0.00 +0.033 C ATOM 34 C LIG 1 -3.650 -2.873 2.450 0.00 0.00 +0.004 C ATOM 35 C LIG 1 -4.078 -2.838 0.981 0.00 0.00 +0.025 C BRANCH 32 36 ATOM 36 O LIG 1 -4.439 0.671 2.030 0.00 0.00 -0.378 OA ATOM 37 C LIG 1 -5.317 1.442 1.219 0.00 0.00 +0.194 C ENDBRANCH 32 36 ENDBRANCH 29 31 ENDBRANCH 4 29 TORSDOF 7