REMARK Name = BDB065061 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.406 0.575 1.447 0.00 0.00 +0.169 A ATOM 2 N LIG 1 -2.609 -0.508 1.379 0.00 0.00 -0.209 NA ATOM 3 C LIG 1 -1.919 -0.832 2.488 0.00 0.00 +0.148 A ATOM 4 C LIG 1 -2.022 -0.104 3.665 0.00 0.00 +0.036 A ATOM 5 C LIG 1 -1.271 -0.479 4.853 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -0.475 -1.550 4.803 0.00 0.00 +0.071 A ATOM 7 C LIG 1 -0.331 -2.363 3.567 0.00 0.00 +0.253 A ATOM 8 O LIG 1 0.420 -3.336 3.602 0.00 0.00 -0.268 OA ATOM 9 C LIG 1 -2.873 0.980 3.628 0.00 0.00 +0.124 A ATOM 10 N LIG 1 -1.059 -1.965 2.461 0.00 0.00 -0.288 N ATOM 11 N LIG 1 -3.577 1.343 2.541 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 13 ATOM 12 C LIG 1 -5.521 0.685 0.133 0.00 0.00 +0.134 A ATOM 13 C LIG 1 -4.141 0.944 0.239 0.00 0.00 +0.102 A ATOM 14 C LIG 1 -3.491 1.569 -0.850 0.00 0.00 +0.134 A ATOM 15 C LIG 1 -4.216 1.893 -2.005 0.00 0.00 +0.046 A ATOM 16 C LIG 1 -5.578 1.601 -2.095 0.00 0.00 +0.007 A ATOM 17 C LIG 1 -6.231 0.992 -1.030 0.00 0.00 +0.046 A BRANCH 12 19 ATOM 18 C LIG 1 -7.031 0.947 1.855 0.00 0.00 +0.277 C ATOM 19 O LIG 1 -6.176 0.040 1.155 0.00 0.00 -0.494 OA ENDBRANCH 12 19 BRANCH 14 20 ATOM 20 O LIG 1 -2.152 1.830 -0.688 0.00 0.00 -0.494 OA ATOM 21 C LIG 1 -1.468 2.484 -1.748 0.00 0.00 +0.277 C ENDBRANCH 14 20 ENDBRANCH 1 13 BRANCH 10 22 ATOM 22 C LIG 1 -0.918 -2.707 1.213 0.00 0.00 +0.162 C BRANCH 22 23 ATOM 23 C LIG 1 0.207 -2.182 0.346 0.00 0.00 -0.028 A ATOM 24 C LIG 1 -0.038 -1.210 -0.631 0.00 0.00 +0.006 A ATOM 25 C LIG 1 1.004 -0.714 -1.419 0.00 0.00 +0.012 A ATOM 26 C LIG 1 2.315 -1.168 -1.237 0.00 0.00 +0.017 A ATOM 27 C LIG 1 2.559 -2.157 -0.277 0.00 0.00 +0.012 A ATOM 28 C LIG 1 1.518 -2.651 0.516 0.00 0.00 +0.006 A BRANCH 26 29 ATOM 29 C LIG 1 3.385 -0.631 -2.080 0.00 0.00 +0.142 A ATOM 30 N LIG 1 4.573 -0.078 -1.638 0.00 0.00 -0.327 N ATOM 31 C LIG 1 5.317 0.251 -2.745 0.00 0.00 +0.120 A ATOM 32 C LIG 1 4.528 -0.044 -3.841 0.00 0.00 +0.162 A ATOM 33 N LIG 1 3.325 -0.568 -3.399 0.00 0.00 -0.224 NA BRANCH 32 34 ATOM 34 C LIG 1 4.834 0.155 -5.296 0.00 0.00 +0.436 C ATOM 35 F LIG 1 4.137 1.195 -5.827 0.00 0.00 -0.164 F ATOM 36 F LIG 1 4.552 -0.941 -6.050 0.00 0.00 -0.164 F ATOM 37 F LIG 1 6.152 0.434 -5.502 0.00 0.00 -0.164 F ENDBRANCH 32 34 BRANCH 30 38 ATOM 38 C LIG 1 4.973 0.189 -0.257 0.00 0.00 +0.083 C ATOM 39 C LIG 1 6.162 -0.679 0.156 0.00 0.00 +0.030 C ATOM 40 C LIG 1 5.264 1.675 -0.026 0.00 0.00 +0.030 C ENDBRANCH 30 38 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 10 22 TORSDOF 8