REMARK Name = BDB022873 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.294 1.194 3.326 0.00 0.00 +0.028 C ATOM 2 C LIG 1 -0.778 0.157 2.302 0.00 0.00 +0.078 C ATOM 3 N LIG 1 -0.781 0.709 0.935 0.00 0.00 -0.292 N ATOM 4 C LIG 1 -1.891 1.164 0.233 0.00 0.00 +0.220 C ATOM 5 O LIG 1 -1.758 1.867 -0.773 0.00 0.00 -0.275 OA ATOM 6 C LIG 1 0.536 1.004 0.353 0.00 0.00 +0.163 C ATOM 7 C LIG 1 1.627 0.028 0.741 0.00 0.00 +0.067 A ATOM 8 C LIG 1 1.399 -0.954 1.688 0.00 0.00 -0.005 A ATOM 9 C LIG 1 2.465 -1.784 1.946 0.00 0.00 +0.120 A ATOM 10 N LIG 1 3.669 -1.657 1.358 0.00 0.00 -0.223 NA ATOM 11 C LIG 1 3.810 -0.662 0.475 0.00 0.00 +0.216 A ATOM 12 N LIG 1 2.828 0.185 0.141 0.00 0.00 -0.218 NA ATOM 13 C LIG 1 0.065 -1.131 2.343 0.00 0.00 +0.060 C ENDROOT BRANCH 4 14 ATOM 14 C LIG 1 -3.288 0.797 0.738 0.00 0.00 +0.085 C ATOM 15 C LIG 1 -4.289 0.651 -0.443 0.00 0.00 +0.045 C ATOM 16 C LIG 1 -5.738 1.015 -0.021 0.00 0.00 +0.093 C ATOM 17 N LIG 1 -5.984 0.709 1.394 0.00 0.00 -0.305 NA ATOM 18 C LIG 1 -7.400 0.829 1.731 0.00 0.00 +0.104 C ATOM 19 C LIG 1 -5.158 1.535 2.284 0.00 0.00 +0.085 C ATOM 20 C LIG 1 -3.781 1.877 1.704 0.00 0.00 +0.029 C BRANCH 15 21 ATOM 21 C LIG 1 -4.158 -0.739 -1.062 0.00 0.00 -0.042 A ATOM 22 C LIG 1 -4.777 -1.866 -0.499 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -4.616 -3.128 -1.073 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -3.827 -3.284 -2.211 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -3.196 -2.177 -2.774 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -3.358 -0.914 -2.202 0.00 0.00 +0.004 A ENDBRANCH 15 21 ENDBRANCH 4 14 BRANCH 11 27 ATOM 27 N LIG 1 5.059 -0.548 -0.099 0.00 0.00 -0.307 N ATOM 28 H LIG 1 5.568 -1.401 0.089 0.00 0.00 +0.149 HD BRANCH 27 29 ATOM 29 C LIG 1 5.129 -0.055 -1.464 0.00 0.00 +0.100 C ATOM 30 C LIG 1 4.532 -1.062 -2.456 0.00 0.00 +0.033 C BRANCH 29 31 ATOM 31 C LIG 1 6.590 0.264 -1.764 0.00 0.00 -0.027 A ATOM 32 C LIG 1 7.522 -0.727 -2.115 0.00 0.00 +0.005 A ATOM 33 C LIG 1 8.856 -0.396 -2.368 0.00 0.00 +0.000 A ATOM 34 C LIG 1 9.281 0.926 -2.262 0.00 0.00 +0.000 A ATOM 35 C LIG 1 8.376 1.918 -1.896 0.00 0.00 +0.000 A ATOM 36 C LIG 1 7.042 1.589 -1.644 0.00 0.00 +0.005 A ENDBRANCH 29 31 ENDBRANCH 27 29 ENDBRANCH 11 27 TORSDOF 5