REMARK Name = BDB007160 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.887 -3.884 -2.188 0.00 0.00 +0.046 C ATOM 2 C LIG 1 2.133 -2.444 -1.897 0.00 0.00 -0.022 A ATOM 3 C LIG 1 1.308 -1.582 -1.109 0.00 0.00 +0.004 A ATOM 4 C LIG 1 1.911 -0.322 -1.084 0.00 0.00 +0.050 A ATOM 5 C LIG 1 1.347 0.755 -0.377 0.00 0.00 +0.027 A ATOM 6 C LIG 1 0.148 0.544 0.310 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -0.482 -0.701 0.290 0.00 0.00 +0.037 A ATOM 8 N LIG 1 3.076 -0.417 -1.827 0.00 0.00 -0.339 N ATOM 9 C LIG 1 0.097 -1.773 -0.406 0.00 0.00 +0.023 A ATOM 10 C LIG 1 3.205 -1.689 -2.350 0.00 0.00 +0.020 A ATOM 11 C LIG 1 4.346 -2.102 -3.219 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -1.757 -0.861 1.046 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -2.641 -1.789 0.536 0.00 0.00 -0.305 N ATOM 14 H LIG 1 -2.480 -2.089 -0.415 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -1.962 -0.168 2.034 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -4.000 -1.990 1.022 0.00 0.00 +0.100 C ATOM 17 C LIG 1 -4.112 -2.181 2.537 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 -4.948 -0.955 0.449 0.00 0.00 -0.027 A ATOM 19 C LIG 1 -5.049 0.334 0.984 0.00 0.00 +0.006 A ATOM 20 C LIG 1 -5.926 1.280 0.436 0.00 0.00 +0.004 A ATOM 21 C LIG 1 -6.731 0.976 -0.672 0.00 0.00 -0.042 A ATOM 22 C LIG 1 -6.610 -0.317 -1.214 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -5.734 -1.264 -0.668 0.00 0.00 +0.006 A BRANCH 21 24 ATOM 24 C LIG 1 -7.703 1.990 -1.297 0.00 0.00 -0.013 C ATOM 25 C LIG 1 -7.745 3.350 -0.562 0.00 0.00 +0.015 C ATOM 26 C LIG 1 -7.288 2.271 -2.758 0.00 0.00 +0.015 C ATOM 27 C LIG 1 -9.138 1.420 -1.278 0.00 0.00 +0.015 C ENDBRANCH 21 24 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 28 ATOM 28 C LIG 1 4.014 0.686 -2.046 0.00 0.00 +0.160 C BRANCH 28 29 ATOM 29 C LIG 1 5.265 0.556 -1.218 0.00 0.00 +0.011 A ATOM 30 C LIG 1 6.519 0.607 -1.835 0.00 0.00 +0.128 A ATOM 31 F LIG 1 6.603 0.761 -3.164 0.00 0.00 -0.205 F ATOM 32 C LIG 1 7.696 0.486 -1.102 0.00 0.00 +0.042 A ATOM 33 C LIG 1 7.638 0.330 0.283 0.00 0.00 +0.048 A ATOM 34 C LIG 1 6.399 0.319 0.923 0.00 0.00 +0.122 A ATOM 35 C LIG 1 5.221 0.411 0.178 0.00 0.00 +0.054 A BRANCH 34 36 ATOM 36 O LIG 1 6.254 0.152 2.272 0.00 0.00 -0.478 OA BRANCH 36 37 ATOM 37 C LIG 1 7.002 1.077 3.066 0.00 0.00 +0.278 C ATOM 38 C LIG 1 6.107 1.448 4.245 0.00 0.00 +0.064 C BRANCH 37 39 ATOM 39 C LIG 1 8.322 0.495 3.594 0.00 0.00 +0.346 C ATOM 40 O LIG 1 8.698 -0.658 3.445 0.00 0.00 -0.247 OA BRANCH 39 41 ATOM 41 O LIG 1 9.099 1.410 4.231 0.00 0.00 -0.478 OA ATOM 42 H LIG 1 8.732 2.314 4.266 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 28 29 ENDBRANCH 8 28 TORSDOF 10