REMARK Name = BDB057393 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.948 -0.229 2.008 0.00 0.00 +0.035 A ATOM 2 C LIG 1 3.658 0.747 1.304 0.00 0.00 +0.027 A ATOM 3 C LIG 1 3.013 1.445 0.291 0.00 0.00 -0.038 A ATOM 4 C LIG 1 3.600 2.488 -0.610 0.00 0.00 +0.040 C ATOM 5 C LIG 1 2.339 3.140 -1.199 0.00 0.00 +0.067 C ATOM 6 C LIG 1 1.253 2.054 -1.191 0.00 0.00 +0.216 C ATOM 7 C LIG 1 -0.146 2.603 -1.119 0.00 0.00 +0.273 C ATOM 8 O LIG 1 -0.573 3.420 -0.319 0.00 0.00 -0.270 OA ATOM 9 N LIG 1 -0.836 2.028 -2.139 0.00 0.00 -0.195 N ATOM 10 C LIG 1 0.010 1.346 -2.938 0.00 0.00 +0.411 C ATOM 11 O LIG 1 -0.275 0.827 -4.007 0.00 0.00 -0.226 OA ATOM 12 O LIG 1 1.263 1.309 -2.408 0.00 0.00 -0.429 OA ATOM 13 C LIG 1 1.680 1.186 -0.041 0.00 0.00 +0.008 A ATOM 14 C LIG 1 0.965 0.218 0.643 0.00 0.00 +0.010 A ATOM 15 C LIG 1 1.603 -0.482 1.672 0.00 0.00 +0.024 A ENDROOT BRANCH 1 20 ATOM 16 C LIG 1 6.223 -1.929 5.246 0.00 0.00 +0.129 C ATOM 17 N LIG 1 4.932 -1.805 4.614 0.00 0.00 -0.302 N ATOM 18 H LIG 1 4.137 -1.779 5.234 0.00 0.00 +0.150 HD ATOM 19 C LIG 1 4.808 -1.016 3.483 0.00 0.00 +0.304 C ATOM 20 N LIG 1 3.495 -0.983 3.064 0.00 0.00 -0.269 N ATOM 21 H LIG 1 2.898 -1.682 3.478 0.00 0.00 +0.156 HD ATOM 22 O LIG 1 5.764 -0.461 2.959 0.00 0.00 -0.253 OA ENDBRANCH 1 20 BRANCH 9 23 ATOM 23 C LIG 1 -2.208 2.346 -2.476 0.00 0.00 +0.215 C BRANCH 23 24 ATOM 24 C LIG 1 -3.193 1.678 -1.511 0.00 0.00 +0.234 C ATOM 25 N LIG 1 -3.469 0.312 -1.599 0.00 0.00 -0.284 N ATOM 26 O LIG 1 -3.726 2.379 -0.644 0.00 0.00 -0.274 OA BRANCH 25 27 ATOM 27 C LIG 1 -2.963 -0.600 -2.679 0.00 0.00 +0.177 C ATOM 28 C LIG 1 -1.790 -1.458 -2.201 0.00 0.00 +0.037 C BRANCH 27 29 ATOM 29 C LIG 1 -4.023 -1.491 -3.365 0.00 0.00 +0.408 C ATOM 30 F LIG 1 -3.523 -2.066 -4.482 0.00 0.00 -0.169 F ATOM 31 F LIG 1 -4.455 -2.485 -2.558 0.00 0.00 -0.169 F ATOM 32 F LIG 1 -5.101 -0.761 -3.735 0.00 0.00 -0.169 F ENDBRANCH 27 29 ENDBRANCH 25 27 BRANCH 25 33 ATOM 33 C LIG 1 -4.352 -0.247 -0.559 0.00 0.00 +0.143 C BRANCH 33 34 ATOM 34 C LIG 1 -3.593 -0.856 0.599 0.00 0.00 -0.030 A ATOM 35 C LIG 1 -2.914 -0.036 1.516 0.00 0.00 +0.008 A ATOM 36 C LIG 1 -2.211 -0.595 2.585 0.00 0.00 +0.038 A ATOM 37 C LIG 1 -2.183 -1.974 2.738 0.00 0.00 +0.123 A ATOM 38 F LIG 1 -1.489 -2.511 3.751 0.00 0.00 -0.205 F ATOM 39 C LIG 1 -2.857 -2.805 1.852 0.00 0.00 +0.038 A ATOM 40 C LIG 1 -3.568 -2.248 0.787 0.00 0.00 +0.008 A ENDBRANCH 33 34 ENDBRANCH 25 33 ENDBRANCH 23 24 ENDBRANCH 9 23 TORSDOF 7