REMARK Name = BDB021518 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.628 -1.192 -0.889 0.00 0.00 +0.124 A ATOM 2 C LIG 1 3.006 -0.437 0.104 0.00 0.00 +0.092 A ATOM 3 C LIG 1 1.634 -0.583 0.350 0.00 0.00 +0.137 A ATOM 4 O LIG 1 1.137 0.137 1.399 0.00 0.00 -0.484 OA ATOM 5 C LIG 1 0.130 1.120 1.083 0.00 0.00 +0.121 C ATOM 6 C LIG 1 -0.881 0.701 -0.008 0.00 0.00 +0.155 C ATOM 7 N LIG 1 -1.369 -0.663 0.180 0.00 0.00 -0.291 N ATOM 8 C LIG 1 -0.560 -1.757 -0.121 0.00 0.00 +0.250 C ATOM 9 O LIG 1 -1.006 -2.897 -0.244 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -0.616 1.366 2.405 0.00 0.00 +0.057 C ATOM 11 C LIG 1 0.834 2.421 0.668 0.00 0.00 +0.057 C ATOM 12 C LIG 1 0.884 -1.519 -0.367 0.00 0.00 +0.079 A ATOM 13 C LIG 1 1.516 -2.297 -1.345 0.00 0.00 +0.020 A ATOM 14 C LIG 1 2.877 -2.126 -1.607 0.00 0.00 +0.046 A ENDROOT BRANCH 1 15 ATOM 15 O LIG 1 4.949 -1.143 -1.236 0.00 0.00 -0.489 OA BRANCH 15 19 ATOM 16 N LIG 1 8.717 -0.151 -0.095 0.00 0.00 -0.302 NA ATOM 17 C LIG 1 7.755 -1.078 0.521 0.00 0.00 +0.088 C ATOM 18 C LIG 1 6.351 -0.496 0.660 0.00 0.00 +0.060 C ATOM 19 C LIG 1 5.772 -0.096 -0.704 0.00 0.00 +0.176 C ATOM 20 C LIG 1 6.879 0.159 -1.735 0.00 0.00 +0.060 C ATOM 21 C LIG 1 8.106 0.766 -1.068 0.00 0.00 +0.088 C BRANCH 16 23 ATOM 22 C LIG 1 10.686 1.337 0.301 0.00 0.00 +0.020 C ATOM 23 C LIG 1 9.531 0.547 0.909 0.00 0.00 +0.081 C ENDBRANCH 16 23 ENDBRANCH 15 19 ENDBRANCH 1 15 BRANCH 7 24 ATOM 24 C LIG 1 -2.816 -0.876 0.270 0.00 0.00 +0.140 C BRANCH 24 25 ATOM 25 C LIG 1 -3.496 -0.878 -1.110 0.00 0.00 +0.146 C BRANCH 25 26 ATOM 26 O LIG 1 -3.624 0.478 -1.583 0.00 0.00 -0.389 OA ATOM 27 H LIG 1 -4.474 0.785 -1.202 0.00 0.00 +0.210 HD ENDBRANCH 25 26 BRANCH 25 28 ATOM 28 C LIG 1 -4.902 -1.518 -1.100 0.00 0.00 +0.117 C BRANCH 28 29 ATOM 29 N LIG 1 -5.882 -0.642 -0.413 0.00 0.00 -0.295 NA ATOM 30 C LIG 1 -7.157 -0.611 -1.167 0.00 0.00 +0.120 C ATOM 31 C LIG 1 -8.251 0.165 -0.465 0.00 0.00 -0.030 A ATOM 32 C LIG 1 -8.206 0.378 0.924 0.00 0.00 -0.042 A ATOM 33 C LIG 1 -9.245 1.074 1.556 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -10.334 1.536 0.818 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -10.392 1.309 -0.555 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -7.013 -0.088 1.717 0.00 0.00 +0.051 C ATOM 37 C LIG 1 -9.358 0.624 -1.194 0.00 0.00 +0.005 A ATOM 38 C LIG 1 -6.163 -1.115 0.956 0.00 0.00 +0.089 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 7 24 TORSDOF 8