REMARK Name = BDB015218 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.736 1.719 2.061 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -0.003 1.090 1.054 0.00 0.00 +0.057 A ATOM 3 C LIG 1 -1.416 1.063 1.073 0.00 0.00 +0.023 A ATOM 4 C LIG 1 -2.058 1.700 2.153 0.00 0.00 +0.012 A ATOM 5 C LIG 1 -1.329 2.329 3.164 0.00 0.00 +0.004 A ATOM 6 C LIG 1 0.062 2.334 3.115 0.00 0.00 +0.046 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.187 0.390 0.002 0.00 0.00 +0.162 A ATOM 8 N LIG 1 -3.531 0.395 0.117 0.00 0.00 -0.210 NA ATOM 9 C LIG 1 -4.149 -0.237 -0.894 0.00 0.00 +0.145 A ATOM 10 C LIG 1 -3.533 -0.852 -1.974 0.00 0.00 +0.037 A ATOM 11 C LIG 1 -4.557 -1.389 -2.794 0.00 0.00 +0.031 A ATOM 12 C LIG 1 -5.764 -1.091 -2.197 0.00 0.00 +0.088 A ATOM 13 C LIG 1 -2.145 -0.802 -2.001 0.00 0.00 +0.124 A ATOM 14 N LIG 1 -5.508 -0.391 -1.040 0.00 0.00 -0.329 N ATOM 15 N LIG 1 -1.476 -0.178 -1.005 0.00 0.00 -0.235 NA BRANCH 14 16 ATOM 16 C LIG 1 -6.510 0.104 -0.097 0.00 0.00 +0.091 C ATOM 17 C LIG 1 -7.302 -1.031 0.575 0.00 0.00 +0.040 C ATOM 18 C LIG 1 -8.709 -1.158 0.001 0.00 0.00 +0.083 C ATOM 19 N LIG 1 -9.491 0.074 0.084 0.00 0.00 -0.316 NA ATOM 20 H LIG 1 -10.093 0.061 0.908 0.00 0.00 +0.122 HD ATOM 21 C LIG 1 -8.703 1.305 0.074 0.00 0.00 +0.083 C ATOM 22 C LIG 1 -7.419 1.167 -0.732 0.00 0.00 +0.040 C ENDBRANCH 14 16 ENDBRANCH 3 7 BRANCH 1 23 ATOM 23 O LIG 1 2.098 1.795 2.141 0.00 0.00 -0.489 OA BRANCH 23 24 ATOM 24 C LIG 1 2.884 1.256 1.070 0.00 0.00 +0.261 C BRANCH 24 25 ATOM 25 C LIG 1 3.135 -0.248 1.255 0.00 0.00 +0.166 C BRANCH 25 26 ATOM 26 O LIG 1 4.096 -0.456 2.307 0.00 0.00 -0.387 OA ATOM 27 H LIG 1 4.965 -0.297 1.885 0.00 0.00 +0.210 HD ENDBRANCH 25 26 BRANCH 25 28 ATOM 28 C LIG 1 3.666 -0.939 -0.019 0.00 0.00 +0.119 C BRANCH 28 29 ATOM 29 N LIG 1 5.052 -0.515 -0.327 0.00 0.00 -0.295 NA ATOM 30 C LIG 1 5.878 -1.686 -0.696 0.00 0.00 +0.120 C ATOM 31 C LIG 1 7.274 -1.323 -1.153 0.00 0.00 -0.030 A ATOM 32 C LIG 1 7.566 -0.031 -1.625 0.00 0.00 -0.042 A ATOM 33 C LIG 1 8.859 0.273 -2.070 0.00 0.00 +0.004 A ATOM 34 C LIG 1 9.851 -0.707 -2.074 0.00 0.00 +0.000 A ATOM 35 C LIG 1 9.561 -1.994 -1.626 0.00 0.00 +0.000 A ATOM 36 C LIG 1 6.506 1.039 -1.589 0.00 0.00 +0.051 C ATOM 37 C LIG 1 8.279 -2.302 -1.171 0.00 0.00 +0.005 A ATOM 38 C LIG 1 5.093 0.460 -1.433 0.00 0.00 +0.089 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 8