REMARK Name = BDB022856 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.963 3.257 -0.132 0.00 0.00 +0.028 C ATOM 2 C LIG 1 -1.236 1.834 0.366 0.00 0.00 +0.078 C ATOM 3 N LIG 1 -1.342 0.892 -0.761 0.00 0.00 -0.292 N ATOM 4 C LIG 1 -2.491 0.674 -1.516 0.00 0.00 +0.220 C ATOM 5 O LIG 1 -2.429 0.075 -2.595 0.00 0.00 -0.275 OA ATOM 6 C LIG 1 -0.084 0.485 -1.408 0.00 0.00 +0.163 C ATOM 7 C LIG 1 1.153 0.517 -0.542 0.00 0.00 +0.067 A ATOM 8 C LIG 1 1.094 0.955 0.765 0.00 0.00 -0.005 A ATOM 9 C LIG 1 2.284 0.926 1.453 0.00 0.00 +0.120 A ATOM 10 N LIG 1 3.450 0.536 0.909 0.00 0.00 -0.223 NA ATOM 11 C LIG 1 3.423 0.148 -0.370 0.00 0.00 +0.216 A ATOM 12 N LIG 1 2.311 0.121 -1.117 0.00 0.00 -0.218 NA ATOM 13 C LIG 1 -0.195 1.363 1.397 0.00 0.00 +0.060 C ENDROOT BRANCH 4 14 ATOM 14 C LIG 1 -3.857 1.117 -0.978 0.00 0.00 +0.085 C ATOM 15 C LIG 1 -4.589 -0.091 -0.344 0.00 0.00 +0.045 C ATOM 16 C LIG 1 -6.075 0.249 -0.063 0.00 0.00 +0.093 C ATOM 17 N LIG 1 -6.817 0.806 -1.202 0.00 0.00 -0.305 NA ATOM 18 C LIG 1 -7.128 -0.206 -2.211 0.00 0.00 +0.104 C ATOM 19 C LIG 1 -6.125 1.967 -1.765 0.00 0.00 +0.085 C ATOM 20 C LIG 1 -4.676 1.687 -2.155 0.00 0.00 +0.029 C BRANCH 15 21 ATOM 21 C LIG 1 -3.885 -0.619 0.903 0.00 0.00 -0.042 A ATOM 22 C LIG 1 -3.090 -1.773 0.803 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -2.425 -2.284 1.919 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -2.544 -1.651 3.153 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -3.321 -0.500 3.269 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -3.982 0.015 2.151 0.00 0.00 +0.004 A ENDBRANCH 15 21 ENDBRANCH 4 14 BRANCH 11 27 ATOM 27 N LIG 1 4.579 -0.262 -1.021 0.00 0.00 -0.311 N ATOM 28 H LIG 1 4.238 -0.750 -1.844 0.00 0.00 +0.149 HD BRANCH 27 29 ATOM 29 C LIG 1 5.536 -1.010 -0.208 0.00 0.00 +0.073 C ATOM 30 C LIG 1 6.469 -0.038 0.544 0.00 0.00 +0.025 C ATOM 31 C LIG 1 7.898 -0.562 0.725 0.00 0.00 +0.033 C ATOM 32 C LIG 1 7.940 -2.079 0.861 0.00 0.00 +0.115 C ATOM 33 C LIG 1 7.376 -2.772 -0.382 0.00 0.00 +0.033 C ATOM 34 C LIG 1 6.348 -1.924 -1.138 0.00 0.00 +0.025 C BRANCH 32 35 ATOM 35 O LIG 1 7.161 -2.476 1.988 0.00 0.00 -0.392 OA ATOM 36 H LIG 1 7.526 -2.026 2.770 0.00 0.00 +0.210 HD ENDBRANCH 32 35 ENDBRANCH 27 29 ENDBRANCH 11 27 TORSDOF 5