REMARK Name = BDB013465 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.748 -1.562 1.085 0.00 0.00 +0.060 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.126 -1.630 0.403 0.00 0.00 -0.034 A ATOM 3 C LIG 1 -3.252 -2.217 1.051 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -3.152 -2.878 2.398 0.00 0.00 +0.046 C ATOM 5 C LIG 1 -4.497 -2.139 0.388 0.00 0.00 +0.116 A ATOM 6 N LIG 1 -5.736 -2.580 0.782 0.00 0.00 -0.129 NA ATOM 7 N LIG 1 -6.612 -2.265 -0.162 0.00 0.00 -0.065 NA ATOM 8 N LIG 1 -5.939 -1.625 -1.136 0.00 0.00 -0.247 N ATOM 9 C LIG 1 -6.652 -1.139 -2.288 0.00 0.00 +0.175 C ATOM 10 C LIG 1 -4.602 -1.532 -0.857 0.00 0.00 +0.089 A ATOM 11 C LIG 1 -3.512 -0.988 -1.532 0.00 0.00 +0.030 A ATOM 12 C LIG 1 -2.280 -1.047 -0.875 0.00 0.00 +0.007 A ENDBRANCH 1 2 BRANCH 1 17 ATOM 13 C LIG 1 3.295 -4.607 -1.886 0.00 0.00 +0.044 C ATOM 14 C LIG 1 2.275 -3.778 -1.155 0.00 0.00 -0.046 A ATOM 15 C LIG 1 2.234 -2.374 -1.264 0.00 0.00 -0.028 A ATOM 16 C LIG 1 1.245 -1.663 -0.550 0.00 0.00 +0.009 A ATOM 17 C LIG 1 0.323 -2.308 0.288 0.00 0.00 -0.039 A ATOM 18 C LIG 1 0.385 -3.704 0.379 0.00 0.00 +0.004 A ATOM 19 C LIG 1 1.347 -4.427 -0.328 0.00 0.00 +0.004 A BRANCH 15 20 ATOM 20 C LIG 1 3.179 -1.614 -2.180 0.00 0.00 +0.144 C BRANCH 20 21 ATOM 21 N LIG 1 3.582 -0.283 -1.633 0.00 0.00 -0.171 NA ATOM 22 S LIG 1 5.108 -0.339 -0.852 0.00 0.00 +0.063 S ATOM 23 O LIG 1 6.141 -0.175 -1.854 0.00 0.00 -0.153 OA ATOM 24 O LIG 1 5.104 -1.528 -0.019 0.00 0.00 -0.153 OA ATOM 25 C LIG 1 5.107 1.060 0.243 0.00 0.00 +0.126 A ATOM 26 C LIG 1 5.002 2.372 -0.249 0.00 0.00 +0.056 A ATOM 27 C LIG 1 5.124 3.413 0.692 0.00 0.00 +0.025 A ATOM 28 C LIG 1 5.323 3.164 2.055 0.00 0.00 +0.002 A ATOM 29 C LIG 1 5.408 1.859 2.518 0.00 0.00 +0.002 A ATOM 30 N LIG 1 4.752 2.638 -1.601 0.00 0.00 -0.330 N ATOM 31 C LIG 1 5.226 3.900 -2.164 0.00 0.00 +0.129 C ATOM 32 C LIG 1 3.413 2.204 -2.032 0.00 0.00 +0.122 C ATOM 33 C LIG 1 5.304 0.807 1.614 0.00 0.00 +0.030 A ATOM 34 C LIG 1 3.435 0.802 -2.650 0.00 0.00 +0.128 C ENDBRANCH 20 21 ENDBRANCH 15 20 ENDBRANCH 1 17 BRANCH 1 35 ATOM 35 C LIG 1 -0.373 -0.108 1.438 0.00 0.00 +0.133 C BRANCH 35 36 ATOM 36 C LIG 1 -1.364 0.463 2.418 0.00 0.00 +0.308 C ATOM 37 O LIG 1 -1.395 0.186 3.609 0.00 0.00 -0.251 OA BRANCH 36 38 ATOM 38 O LIG 1 -2.239 1.285 1.782 0.00 0.00 -0.457 OA BRANCH 38 39 ATOM 39 C LIG 1 -3.365 1.676 2.576 0.00 0.00 +0.310 C BRANCH 39 40 ATOM 40 C LIG 1 -4.394 2.226 1.648 0.00 0.00 +0.187 A ATOM 41 C LIG 1 -5.019 3.385 1.625 0.00 0.00 +0.151 A ATOM 42 C LIG 1 -4.935 4.557 2.531 0.00 0.00 +0.090 C ATOM 43 O LIG 1 -5.889 3.468 0.551 0.00 0.00 -0.396 OA ATOM 44 C LIG 1 -5.703 2.236 -0.056 0.00 0.00 +0.521 A ATOM 45 O LIG 1 -6.277 1.902 -1.085 0.00 0.00 -0.202 OA ATOM 46 O LIG 1 -4.798 1.421 0.597 0.00 0.00 -0.392 OA ENDBRANCH 39 40 ENDBRANCH 38 39 ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 1 35 TORSDOF 9