REMARK Name = BDB014195 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.892 -3.455 0.143 0.00 0.00 +0.132 A ATOM 2 C LIG 1 -1.146 -2.489 -0.833 0.00 0.00 +0.079 A ATOM 3 C LIG 1 -2.394 -1.859 -0.898 0.00 0.00 +0.020 A ATOM 4 C LIG 1 -3.387 -2.159 0.048 0.00 0.00 -0.041 A ATOM 5 C LIG 1 -3.116 -3.124 1.032 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -1.872 -3.759 1.087 0.00 0.00 +0.047 A ENDROOT BRANCH 2 7 ATOM 7 C LIG 1 -0.135 -2.135 -1.842 0.00 0.00 +0.250 C ATOM 8 N LIG 1 0.862 -1.234 -1.499 0.00 0.00 -0.294 N ATOM 9 C LIG 1 1.014 -0.576 -0.197 0.00 0.00 +0.127 C ATOM 10 C LIG 1 2.490 -0.440 0.228 0.00 0.00 +0.125 C ATOM 11 N LIG 1 3.339 0.146 -0.829 0.00 0.00 -0.312 N ATOM 12 C LIG 1 2.700 0.347 -2.144 0.00 0.00 +0.125 C ATOM 13 C LIG 1 1.851 -0.878 -2.521 0.00 0.00 +0.127 C ATOM 14 O LIG 1 -0.244 -2.644 -2.955 0.00 0.00 -0.270 OA BRANCH 11 15 ATOM 15 C LIG 1 4.227 1.160 -0.441 0.00 0.00 +0.124 A ATOM 16 N LIG 1 4.294 2.280 -1.185 0.00 0.00 -0.211 NA ATOM 17 C LIG 1 5.173 3.216 -0.779 0.00 0.00 +0.179 A ATOM 18 C LIG 1 5.992 3.067 0.331 0.00 0.00 +0.085 A ATOM 19 N LIG 1 6.718 4.226 0.376 0.00 0.00 -0.343 N ATOM 20 H LIG 1 7.424 4.465 1.058 0.00 0.00 +0.167 HD ATOM 21 C LIG 1 6.318 5.008 -0.672 0.00 0.00 +0.199 A ATOM 22 C LIG 1 5.963 1.922 1.111 0.00 0.00 +0.033 A ATOM 23 N LIG 1 5.384 4.424 -1.388 0.00 0.00 -0.217 NA ATOM 24 C LIG 1 5.047 0.957 0.684 0.00 0.00 +0.046 A ENDBRANCH 11 15 ENDBRANCH 2 7 BRANCH 1 26 ATOM 25 C LIG 1 0.376 -5.236 -0.556 0.00 0.00 +0.277 C ATOM 26 O LIG 1 0.329 -4.064 0.261 0.00 0.00 -0.494 OA ENDBRANCH 1 26 BRANCH 4 27 ATOM 27 C LIG 1 -4.742 -1.490 -0.015 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 -4.662 0.030 -0.091 0.00 0.00 +0.074 A ATOM 29 C LIG 1 -4.365 0.825 1.129 0.00 0.00 +0.011 A ATOM 30 C LIG 1 -4.287 2.208 0.983 0.00 0.00 +0.050 A ATOM 31 C LIG 1 -4.006 3.029 2.082 0.00 0.00 +0.014 A ATOM 32 C LIG 1 -3.803 2.460 3.337 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -3.882 1.077 3.492 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -4.507 2.805 -0.345 0.00 0.00 +0.272 A ATOM 35 O LIG 1 -4.454 4.018 -0.517 0.00 0.00 -0.266 OA ATOM 36 N LIG 1 -4.777 1.926 -1.364 0.00 0.00 -0.242 N ATOM 37 H LIG 1 -4.926 2.319 -2.289 0.00 0.00 +0.192 HD ATOM 38 C LIG 1 -4.163 0.258 2.393 0.00 0.00 +0.010 A ATOM 39 N LIG 1 -4.853 0.574 -1.258 0.00 0.00 -0.175 NA ENDBRANCH 27 28 ENDBRANCH 4 27 TORSDOF 5