REMARK Name = BDB060611 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.650 -0.857 0.806 0.00 0.00 +0.034 A ATOM 2 C LIG 1 0.106 -2.133 0.622 0.00 0.00 +0.025 A ATOM 3 C LIG 1 -1.182 -2.298 0.097 0.00 0.00 +0.025 A ATOM 4 C LIG 1 -1.948 -1.188 -0.253 0.00 0.00 +0.034 A ATOM 5 C LIG 1 -1.405 0.087 -0.068 0.00 0.00 +0.025 A ATOM 6 C LIG 1 -0.118 0.252 0.458 0.00 0.00 +0.025 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 2.702 0.359 1.565 0.00 0.00 +0.248 C ATOM 8 N LIG 1 1.950 -0.781 1.346 0.00 0.00 -0.282 N ATOM 9 H LIG 1 2.398 -1.668 1.537 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 2.401 1.512 1.289 0.00 0.00 -0.270 OA BRANCH 7 13 ATOM 11 C LIG 1 6.408 0.559 2.264 0.00 0.00 +0.034 A ATOM 12 C LIG 1 5.152 0.774 1.692 0.00 0.00 +0.036 A ATOM 13 C LIG 1 4.027 0.104 2.192 0.00 0.00 +0.039 A ATOM 14 C LIG 1 4.144 -0.766 3.282 0.00 0.00 +0.013 A ATOM 15 C LIG 1 5.393 -0.976 3.861 0.00 0.00 +0.003 A ATOM 16 C LIG 1 6.516 -0.318 3.353 0.00 0.00 +0.023 A BRANCH 11 18 ATOM 17 C LIG 1 7.750 2.011 0.732 0.00 0.00 +0.241 C ATOM 18 N LIG 1 7.598 1.179 1.822 0.00 0.00 -0.282 N ATOM 19 H LIG 1 8.426 0.966 2.360 0.00 0.00 +0.155 HD ATOM 20 O LIG 1 6.892 2.340 -0.075 0.00 0.00 -0.271 OA BRANCH 17 22 ATOM 21 C LIG 1 9.510 3.291 -0.419 0.00 0.00 +0.013 C ATOM 22 C LIG 1 9.156 2.498 0.600 0.00 0.00 +0.060 C ENDBRANCH 17 22 ENDBRANCH 11 18 ENDBRANCH 7 13 ENDBRANCH 1 8 BRANCH 4 23 ATOM 23 N LIG 1 -3.245 -1.266 -0.785 0.00 0.00 -0.280 N ATOM 24 H LIG 1 -3.716 -0.392 -1.011 0.00 0.00 +0.155 HD ATOM 25 C LIG 1 -3.995 -2.393 -1.058 0.00 0.00 +0.267 C ATOM 26 O LIG 1 -3.672 -3.562 -0.886 0.00 0.00 -0.268 OA BRANCH 25 27 ATOM 27 C LIG 1 -5.344 -2.065 -1.628 0.00 0.00 +0.126 A ATOM 28 N LIG 1 -5.624 -0.738 -1.768 0.00 0.00 -0.241 NA ATOM 29 C LIG 1 -6.832 -0.416 -2.284 0.00 0.00 +0.089 A ATOM 30 C LIG 1 -7.771 -1.374 -2.658 0.00 0.00 +0.030 A ATOM 31 C LIG 1 -7.457 -2.724 -2.502 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -6.221 -3.082 -1.978 0.00 0.00 +0.033 A BRANCH 29 33 ATOM 33 C LIG 1 -7.056 1.020 -2.402 0.00 0.00 +0.084 A ATOM 34 N LIG 1 -8.094 1.596 -3.090 0.00 0.00 -0.275 N ATOM 35 H LIG 1 -8.833 1.137 -3.610 0.00 0.00 +0.189 HD ATOM 36 N LIG 1 -8.101 2.939 -3.059 0.00 0.00 -0.182 NA ATOM 37 C LIG 1 -7.019 3.241 -2.342 0.00 0.00 +0.135 A ATOM 38 C LIG 1 -6.332 2.094 -1.912 0.00 0.00 +0.050 A ENDBRANCH 29 33 ENDBRANCH 25 27 ENDBRANCH 4 23 TORSDOF 7