REMARK Name = BDB014194 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.908 0.264 -0.086 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -1.926 -0.468 -0.710 0.00 0.00 +0.017 A ATOM 3 C LIG 1 -2.955 -1.040 0.051 0.00 0.00 -0.041 A ATOM 4 C LIG 1 -2.928 -0.887 1.446 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -1.923 -0.138 2.064 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -0.919 0.451 1.298 0.00 0.00 +0.013 A ENDROOT BRANCH 1 8 ATOM 7 O LIG 1 -0.249 1.574 -1.885 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 0.129 0.892 -0.934 0.00 0.00 +0.247 C ATOM 9 N LIG 1 1.468 0.690 -0.629 0.00 0.00 -0.295 N ATOM 10 C LIG 1 1.988 -0.342 0.280 0.00 0.00 +0.127 C ATOM 11 C LIG 1 3.300 -0.984 -0.217 0.00 0.00 +0.125 C ATOM 12 N LIG 1 4.324 0.015 -0.579 0.00 0.00 -0.312 N ATOM 13 C LIG 1 3.857 1.407 -0.734 0.00 0.00 +0.125 C ATOM 14 C LIG 1 2.471 1.436 -1.396 0.00 0.00 +0.127 C BRANCH 12 15 ATOM 15 C LIG 1 5.592 -0.123 0.002 0.00 0.00 +0.124 A ATOM 16 N LIG 1 6.180 0.966 0.534 0.00 0.00 -0.211 NA ATOM 17 C LIG 1 7.404 0.785 1.065 0.00 0.00 +0.179 A ATOM 18 C LIG 1 8.063 -0.435 1.071 0.00 0.00 +0.085 A ATOM 19 N LIG 1 9.255 -0.174 1.691 0.00 0.00 -0.343 N ATOM 20 H LIG 1 9.997 -0.836 1.867 0.00 0.00 +0.167 HD ATOM 21 C LIG 1 9.267 1.152 2.030 0.00 0.00 +0.199 A ATOM 22 C LIG 1 7.499 -1.572 0.517 0.00 0.00 +0.033 A ATOM 23 N LIG 1 8.159 1.758 1.666 0.00 0.00 -0.217 NA ATOM 24 C LIG 1 6.228 -1.377 -0.030 0.00 0.00 +0.046 A ENDBRANCH 12 15 ENDBRANCH 1 8 BRANCH 3 25 ATOM 25 C LIG 1 -4.051 -1.831 -0.626 0.00 0.00 +0.093 C BRANCH 25 26 ATOM 26 C LIG 1 -5.453 -1.424 -0.191 0.00 0.00 +0.074 A ATOM 27 C LIG 1 -6.059 -0.168 -0.706 0.00 0.00 +0.011 A ATOM 28 C LIG 1 -7.339 0.149 -0.258 0.00 0.00 +0.050 A ATOM 29 C LIG 1 -7.981 1.316 -0.693 0.00 0.00 +0.014 A ATOM 30 C LIG 1 -7.334 2.172 -1.582 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -6.053 1.860 -2.035 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -8.018 -0.758 0.681 0.00 0.00 +0.272 A ATOM 33 O LIG 1 -9.145 -0.520 1.101 0.00 0.00 -0.266 OA ATOM 34 N LIG 1 -7.316 -1.878 1.053 0.00 0.00 -0.242 N ATOM 35 H LIG 1 -7.771 -2.516 1.699 0.00 0.00 +0.192 HD ATOM 36 C LIG 1 -5.414 0.694 -1.601 0.00 0.00 +0.010 A ATOM 37 N LIG 1 -6.067 -2.216 0.640 0.00 0.00 -0.175 NA ENDBRANCH 25 26 ENDBRANCH 3 25 TORSDOF 4