REMARK Name = BDB032152 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.216 0.597 -1.839 0.00 0.00 -0.007 A ATOM 2 C LIG 1 -3.262 0.772 -0.919 0.00 0.00 +0.020 A ATOM 3 C LIG 1 -4.394 -0.011 -1.071 0.00 0.00 +0.045 A ATOM 4 C LIG 1 -5.623 -0.030 -0.271 0.00 0.00 +0.248 C ATOM 5 N LIG 1 -6.424 -1.032 -0.791 0.00 0.00 -0.282 N ATOM 6 C LIG 1 -5.858 -1.613 -2.003 0.00 0.00 +0.147 C ATOM 7 O LIG 1 -5.862 0.733 0.642 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -4.532 -0.950 -2.085 0.00 0.00 +0.017 A ATOM 9 C LIG 1 -3.509 -1.132 -2.985 0.00 0.00 +0.129 A ATOM 10 F LIG 1 -3.620 -2.035 -3.966 0.00 0.00 -0.205 F ATOM 11 C LIG 1 -2.348 -0.366 -2.867 0.00 0.00 +0.045 A ENDROOT BRANCH 5 12 ATOM 12 C LIG 1 -7.804 -1.302 -0.399 0.00 0.00 +0.163 C ATOM 13 C LIG 1 -8.701 -0.124 -0.781 0.00 0.00 +0.240 C ATOM 14 O LIG 1 -8.832 0.249 -1.947 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 -9.325 0.544 0.241 0.00 0.00 -0.255 N ATOM 16 H LIG 1 -9.897 1.330 -0.032 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 -9.131 0.406 1.591 0.00 0.00 +0.219 C ATOM 18 O LIG 1 -9.706 1.150 2.382 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 -8.172 -0.662 2.052 0.00 0.00 +0.098 C ATOM 20 C LIG 1 -8.000 -1.779 1.038 0.00 0.00 +0.041 C ENDBRANCH 5 12 BRANCH 1 21 ATOM 21 C LIG 1 -0.946 1.402 -1.717 0.00 0.00 +0.269 C BRANCH 21 22 ATOM 22 O LIG 1 0.042 0.558 -1.121 0.00 0.00 -0.445 OA BRANCH 22 25 ATOM 23 N LIG 1 2.097 0.262 -0.384 0.00 0.00 -0.250 N ATOM 24 H LIG 1 1.674 -0.638 -0.205 0.00 0.00 +0.158 HD ATOM 25 C LIG 1 1.248 1.163 -0.959 0.00 0.00 +0.405 C ATOM 26 O LIG 1 1.482 2.314 -1.290 0.00 0.00 -0.226 OA BRANCH 23 30 ATOM 27 C LIG 1 6.125 0.577 0.745 0.00 0.00 +0.122 A ATOM 28 N LIG 1 5.441 -0.573 0.920 0.00 0.00 -0.238 NA ATOM 29 C LIG 1 4.142 -0.616 0.536 0.00 0.00 +0.136 A ATOM 30 C LIG 1 3.444 0.446 -0.029 0.00 0.00 +0.055 A ATOM 31 C LIG 1 4.148 1.628 -0.194 0.00 0.00 +0.028 A ATOM 32 C LIG 1 5.489 1.693 0.200 0.00 0.00 +0.045 A BRANCH 27 35 ATOM 33 C LIG 1 7.682 -0.645 3.254 0.00 0.00 +0.028 C ATOM 34 C LIG 1 8.056 -0.533 1.783 0.00 0.00 +0.072 C ATOM 35 N LIG 1 7.452 0.652 1.152 0.00 0.00 -0.312 N ATOM 36 C LIG 1 8.410 1.293 0.243 0.00 0.00 +0.107 C ATOM 37 C LIG 1 9.627 0.370 0.246 0.00 0.00 +0.021 C ATOM 38 C LIG 1 9.560 -0.287 1.611 0.00 0.00 +0.024 C ENDBRANCH 27 35 ENDBRANCH 23 30 ENDBRANCH 22 25 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 6