REMARK Name = BDB038615 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.220 0.899 0.400 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -2.935 0.976 -0.153 0.00 0.00 +0.052 A ATOM 3 C LIG 1 -1.815 0.793 0.650 0.00 0.00 +0.129 A ATOM 4 N LIG 1 -1.947 0.591 1.973 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 -3.171 0.547 2.547 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -4.321 0.696 1.779 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.522 0.790 0.087 0.00 0.00 -0.248 N ATOM 8 C LIG 1 0.658 0.588 0.805 0.00 0.00 +0.253 C ATOM 9 O LIG 1 0.870 0.403 1.988 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.754 0.634 -0.173 0.00 0.00 +0.045 A ATOM 11 C LIG 1 1.207 0.853 -1.428 0.00 0.00 +0.018 A ATOM 12 C LIG 1 2.030 0.942 -2.526 0.00 0.00 +0.129 A ATOM 13 C LIG 1 3.410 0.812 -2.362 0.00 0.00 +0.043 A ATOM 14 C LIG 1 3.967 0.595 -1.082 0.00 0.00 -0.030 A ATOM 15 F LIG 1 1.517 1.154 -3.743 0.00 0.00 -0.205 F ATOM 16 C LIG 1 3.117 0.495 0.032 0.00 0.00 +0.018 A ATOM 17 C LIG 1 -0.272 0.948 -1.337 0.00 0.00 +0.154 C BRANCH 14 18 ATOM 18 C LIG 1 5.461 0.432 -0.913 0.00 0.00 +0.116 C BRANCH 18 19 ATOM 19 N LIG 1 5.811 -0.980 -0.818 0.00 0.00 -0.309 NA ATOM 20 H LIG 1 5.388 -1.477 -1.601 0.00 0.00 +0.122 HD BRANCH 19 21 ATOM 21 C LIG 1 7.261 -1.223 -0.829 0.00 0.00 +0.121 C BRANCH 21 22 ATOM 22 C LIG 1 7.991 -0.815 0.459 0.00 0.00 +0.124 C ATOM 23 C LIG 1 8.396 0.682 0.612 0.00 0.00 +0.042 C ATOM 24 C LIG 1 9.732 0.191 1.198 0.00 0.00 +0.006 C ATOM 25 C LIG 1 9.520 -1.114 0.411 0.00 0.00 +0.042 C ATOM 26 F LIG 1 7.365 -1.346 1.541 0.00 0.00 -0.241 F ENDBRANCH 21 22 ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 14 18 ENDBRANCH 3 7 BRANCH 1 28 ATOM 27 C LIG 1 -5.644 0.172 -1.577 0.00 0.00 +0.028 A ATOM 28 C LIG 1 -5.428 0.999 -0.446 0.00 0.00 -0.007 A ATOM 29 C LIG 1 -6.406 1.965 -0.135 0.00 0.00 +0.010 A ATOM 30 C LIG 1 -7.555 2.117 -0.917 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -7.750 1.310 -2.039 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -6.795 0.346 -2.368 0.00 0.00 +0.031 A BRANCH 27 35 ATOM 33 C LIG 1 -4.959 -2.531 -0.122 0.00 0.00 +0.152 C ATOM 34 N LIG 1 -4.379 -2.010 -1.330 0.00 0.00 -0.317 N ATOM 35 C LIG 1 -4.686 -0.849 -1.996 0.00 0.00 +0.164 A ATOM 36 N LIG 1 -3.939 -0.789 -3.083 0.00 0.00 -0.129 NA ATOM 37 N LIG 1 -3.116 -1.890 -3.108 0.00 0.00 -0.138 NA ATOM 38 C LIG 1 -3.393 -2.614 -2.050 0.00 0.00 +0.225 A ENDBRANCH 27 35 BRANCH 31 39 ATOM 39 C LIG 1 -8.922 1.471 -2.848 0.00 0.00 +0.099 C ATOM 40 N LIG 1 -9.879 1.599 -3.492 0.00 0.00 -0.191 NA ENDBRANCH 31 39 ENDBRANCH 1 28 BRANCH 5 41 ATOM 41 C LIG 1 -3.262 0.327 4.038 0.00 0.00 +0.038 C ATOM 42 C LIG 1 -2.349 -0.674 4.708 0.00 0.00 +0.010 C ATOM 43 C LIG 1 -3.811 -0.974 4.579 0.00 0.00 +0.010 C ENDBRANCH 5 41 TORSDOF 9