REMARK Name = BDB011818 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.274 0.296 0.956 0.00 0.00 +0.177 C ATOM 2 C LIG 1 0.342 1.502 1.130 0.00 0.00 +0.242 C ATOM 3 O LIG 1 0.787 2.653 1.012 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -1.021 1.281 1.304 0.00 0.00 -0.264 N ATOM 5 C LIG 1 -1.596 0.460 2.336 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -1.161 -0.843 2.675 0.00 0.00 +0.058 A ATOM 7 N LIG 1 -0.008 -1.438 2.108 0.00 0.00 -0.267 N ATOM 8 C LIG 1 0.064 -2.711 1.538 0.00 0.00 +0.221 C ATOM 9 C LIG 1 -1.225 -3.469 1.251 0.00 0.00 +0.115 C ATOM 10 C LIG 1 -1.118 -4.181 -0.100 0.00 0.00 +0.113 C ATOM 11 N LIG 1 -2.394 -4.700 -0.595 0.00 0.00 -0.311 N ATOM 12 H LIG 1 -2.549 -5.701 -0.556 0.00 0.00 +0.149 HD ATOM 13 C LIG 1 -3.386 -4.019 -1.266 0.00 0.00 +0.244 C ATOM 14 C LIG 1 -3.250 -2.559 -1.381 0.00 0.00 +0.037 A ATOM 15 C LIG 1 -2.451 -1.997 -2.375 0.00 0.00 +0.021 A ATOM 16 C LIG 1 -2.081 -0.647 -2.291 0.00 0.00 -0.017 A ATOM 17 C LIG 1 -2.487 0.131 -1.179 0.00 0.00 -0.010 A ATOM 18 C LIG 1 -1.888 1.412 -0.983 0.00 0.00 +0.020 A ATOM 19 C LIG 1 -1.075 1.966 -1.994 0.00 0.00 +0.125 A ATOM 20 C LIG 1 -0.795 1.229 -3.143 0.00 0.00 +0.046 A ATOM 21 C LIG 1 -3.433 -0.437 -0.294 0.00 0.00 +0.010 A ATOM 22 C LIG 1 -1.257 -0.080 -3.268 0.00 0.00 +0.012 A ATOM 23 C LIG 1 -3.820 -1.770 -0.392 0.00 0.00 +0.013 A ATOM 24 O LIG 1 -4.375 -4.585 -1.712 0.00 0.00 -0.270 OA ATOM 25 O LIG 1 1.145 -3.221 1.230 0.00 0.00 -0.275 OA ATOM 26 C LIG 1 -1.860 -1.587 3.645 0.00 0.00 +0.025 A ATOM 27 C LIG 1 -2.980 -1.066 4.286 0.00 0.00 +0.002 A ATOM 28 C LIG 1 -3.406 0.216 3.980 0.00 0.00 +0.002 A ATOM 29 C LIG 1 -2.720 0.967 3.022 0.00 0.00 +0.025 A ATOM 30 C LIG 1 -1.904 2.063 0.406 0.00 0.00 +0.153 C ATOM 31 C LIG 1 1.199 -0.621 2.155 0.00 0.00 +0.145 C ENDROOT BRANCH 1 33 ATOM 32 C LIG 1 3.185 0.949 -0.481 0.00 0.00 +0.230 C ATOM 33 N LIG 1 2.642 0.810 0.782 0.00 0.00 -0.301 N ATOM 34 H LIG 1 2.930 1.509 1.457 0.00 0.00 +0.150 HD ATOM 35 O LIG 1 2.660 0.500 -1.499 0.00 0.00 -0.274 OA BRANCH 32 36 ATOM 36 C LIG 1 4.508 1.752 -0.514 0.00 0.00 +0.137 C ATOM 37 C LIG 1 4.174 3.188 -0.918 0.00 0.00 +0.034 C BRANCH 36 39 ATOM 38 C LIG 1 6.698 1.760 -1.623 0.00 0.00 +0.101 C ATOM 39 N LIG 1 5.443 1.060 -1.418 0.00 0.00 -0.309 NA ATOM 40 H LIG 1 4.971 0.896 -2.311 0.00 0.00 +0.122 HD ENDBRANCH 36 39 ENDBRANCH 32 36 ENDBRANCH 1 33 BRANCH 19 41 ATOM 41 O LIG 1 -0.609 3.236 -1.775 0.00 0.00 -0.495 OA ATOM 42 C LIG 1 0.574 3.606 -2.473 0.00 0.00 +0.277 C ENDBRANCH 19 41 TORSDOF 4