REMARK Name = BDB019881 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.859 2.012 0.802 0.00 0.00 -0.013 A ATOM 2 C LIG 1 0.188 1.747 -0.089 0.00 0.00 +0.021 A ATOM 3 C LIG 1 0.559 0.428 -0.382 0.00 0.00 +0.038 A ATOM 4 C LIG 1 -0.136 -0.632 0.212 0.00 0.00 +0.018 A ATOM 5 C LIG 1 -1.187 -0.385 1.111 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -1.544 0.943 1.395 0.00 0.00 +0.014 A ENDROOT BRANCH 1 10 ATOM 7 N LIG 1 -1.825 5.469 0.795 0.00 0.00 -0.271 N ATOM 8 N LIG 1 -1.798 5.341 2.133 0.00 0.00 -0.167 NA ATOM 9 C LIG 1 -1.423 4.060 2.342 0.00 0.00 +0.173 A ATOM 10 C LIG 1 -1.236 3.380 1.100 0.00 0.00 +0.032 A ATOM 11 C LIG 1 -1.496 4.326 0.132 0.00 0.00 +0.117 A BRANCH 9 12 ATOM 12 C LIG 1 -1.238 3.486 3.721 0.00 0.00 +0.437 C ATOM 13 F LIG 1 -2.241 2.621 4.044 0.00 0.00 -0.164 F ATOM 14 F LIG 1 -1.207 4.424 4.705 0.00 0.00 -0.164 F ATOM 15 F LIG 1 -0.078 2.780 3.830 0.00 0.00 -0.164 F ENDBRANCH 9 12 BRANCH 7 17 ATOM 16 C LIG 1 -3.680 6.933 0.101 0.00 0.00 +0.029 C ATOM 17 C LIG 1 -2.177 6.745 0.201 0.00 0.00 +0.140 C ENDBRANCH 7 17 ENDBRANCH 1 10 BRANCH 3 18 ATOM 18 C LIG 1 1.673 0.208 -1.349 0.00 0.00 +0.244 C ATOM 19 N LIG 1 2.337 -0.996 -1.264 0.00 0.00 -0.307 N ATOM 20 H LIG 1 2.181 -1.593 -0.464 0.00 0.00 +0.149 HD ATOM 21 O LIG 1 1.971 1.091 -2.147 0.00 0.00 -0.270 OA BRANCH 19 22 ATOM 22 C LIG 1 3.510 -1.271 -2.060 0.00 0.00 +0.139 C BRANCH 22 23 ATOM 23 C LIG 1 4.767 -1.052 -1.255 0.00 0.00 -0.030 A ATOM 24 C LIG 1 5.412 -2.129 -0.625 0.00 0.00 +0.011 A ATOM 25 C LIG 1 6.571 -1.925 0.137 0.00 0.00 -0.015 A ATOM 26 C LIG 1 7.246 -3.067 0.833 0.00 0.00 +0.047 C ATOM 27 C LIG 1 7.056 -0.623 0.284 0.00 0.00 +0.126 A ATOM 28 F LIG 1 8.149 -0.398 1.028 0.00 0.00 -0.205 F ATOM 29 C LIG 1 6.425 0.456 -0.326 0.00 0.00 +0.039 A ATOM 30 C LIG 1 5.282 0.243 -1.094 0.00 0.00 +0.008 A ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 3 18 BRANCH 5 31 ATOM 31 C LIG 1 -1.943 -1.540 1.733 0.00 0.00 +0.159 C BRANCH 31 32 ATOM 32 N LIG 1 -2.848 -2.147 0.782 0.00 0.00 -0.313 N ATOM 33 C LIG 1 -2.514 -3.253 -0.009 0.00 0.00 +0.204 A ATOM 34 N LIG 1 -1.402 -3.904 -0.000 0.00 0.00 -0.268 NA ATOM 35 H LIG 1 -1.484 -4.656 -0.689 0.00 0.00 +0.190 HD ATOM 36 N LIG 1 -3.648 -3.452 -0.808 0.00 0.00 -0.314 N ATOM 37 C LIG 1 -4.564 -2.436 -0.585 0.00 0.00 +0.107 A ATOM 38 C LIG 1 -4.091 -1.656 0.398 0.00 0.00 +0.107 A BRANCH 36 39 ATOM 39 C LIG 1 -3.617 -4.185 -2.067 0.00 0.00 +0.090 C ATOM 40 C LIG 1 -3.538 -5.688 -2.098 0.00 0.00 +0.027 C ATOM 41 C LIG 1 -4.793 -4.997 -2.542 0.00 0.00 +0.027 C ENDBRANCH 36 39 ENDBRANCH 31 32 ENDBRANCH 5 31 TORSDOF 9