REMARK Name = BDB040710 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.040 0.022 -1.604 0.00 0.00 -0.326 N ATOM 2 C LIG 1 -0.964 0.831 -1.096 0.00 0.00 +0.129 C ATOM 3 C LIG 1 -0.010 -0.066 -1.909 0.00 0.00 +0.111 C ATOM 4 C LIG 1 -1.167 -1.082 -1.889 0.00 0.00 +0.129 C ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 -6.032 -0.154 -0.155 0.00 0.00 +0.035 A ATOM 6 C LIG 1 -5.473 -1.210 -0.874 0.00 0.00 +0.132 A ATOM 7 F LIG 1 -6.205 -2.304 -1.129 0.00 0.00 -0.205 F ATOM 8 C LIG 1 -4.164 -1.160 -1.352 0.00 0.00 +0.062 A ATOM 9 C LIG 1 -3.360 -0.039 -1.116 0.00 0.00 +0.035 A ATOM 10 C LIG 1 -3.918 1.032 -0.409 0.00 0.00 +0.062 A ATOM 11 C LIG 1 -5.229 0.965 0.063 0.00 0.00 +0.132 A ATOM 12 F LIG 1 -5.722 2.016 0.735 0.00 0.00 -0.205 F BRANCH 5 19 ATOM 13 O LIG 1 -10.820 1.235 2.271 0.00 0.00 -0.275 OA ATOM 14 C LIG 1 -9.810 0.859 1.682 0.00 0.00 +0.219 C ATOM 15 N LIG 1 -8.672 0.523 2.369 0.00 0.00 -0.256 N ATOM 16 H LIG 1 -8.723 0.610 3.375 0.00 0.00 +0.157 HD ATOM 17 C LIG 1 -7.527 -0.059 1.878 0.00 0.00 +0.227 C ATOM 18 O LIG 1 -6.664 -0.470 2.651 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 -7.451 -0.234 0.362 0.00 0.00 +0.111 C ATOM 20 C LIG 1 -8.357 0.777 -0.348 0.00 0.00 +0.027 C ATOM 21 C LIG 1 -9.776 0.661 0.186 0.00 0.00 +0.097 C ENDBRANCH 5 19 ENDBRANCH 1 9 BRANCH 3 22 ATOM 22 N LIG 1 1.216 -0.497 -1.215 0.00 0.00 -0.275 N ATOM 23 H LIG 1 1.432 -1.472 -1.056 0.00 0.00 +0.152 HD ATOM 24 C LIG 1 2.159 0.382 -0.777 0.00 0.00 +0.401 C ATOM 25 O LIG 1 2.095 1.597 -0.884 0.00 0.00 -0.226 OA BRANCH 24 26 ATOM 26 O LIG 1 3.179 -0.300 -0.202 0.00 0.00 -0.444 OA BRANCH 26 27 ATOM 27 C LIG 1 4.250 0.537 0.292 0.00 0.00 +0.212 C ATOM 28 C LIG 1 5.156 1.213 -0.753 0.00 0.00 +0.154 C ATOM 29 N LIG 1 6.298 0.761 0.046 0.00 0.00 -0.290 N ATOM 30 C LIG 1 7.564 0.568 -0.476 0.00 0.00 +0.247 C ATOM 31 O LIG 1 7.900 0.977 -1.583 0.00 0.00 -0.270 OA ATOM 32 C LIG 1 5.498 -0.214 0.786 0.00 0.00 +0.154 C BRANCH 30 33 ATOM 33 C LIG 1 8.541 -0.179 0.357 0.00 0.00 +0.037 A ATOM 34 C LIG 1 9.459 -1.021 -0.282 0.00 0.00 +0.013 A ATOM 35 C LIG 1 10.396 -1.732 0.468 0.00 0.00 +0.001 A ATOM 36 C LIG 1 10.428 -1.593 1.856 0.00 0.00 +0.000 A ATOM 37 C LIG 1 9.530 -0.737 2.495 0.00 0.00 +0.001 A ATOM 38 C LIG 1 8.589 -0.025 1.748 0.00 0.00 +0.013 A ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 3 22 TORSDOF 6