REMARK Name = BDB008755 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.319 -1.063 -0.571 0.00 0.00 +0.127 A ATOM 2 N LIG 1 0.130 -1.493 -1.036 0.00 0.00 -0.220 NA ATOM 3 C LIG 1 -0.968 -0.744 -0.782 0.00 0.00 +0.158 A ATOM 4 C LIG 1 -0.940 0.458 -0.086 0.00 0.00 +0.162 A ATOM 5 C LIG 1 0.289 0.884 0.430 0.00 0.00 +0.030 A ATOM 6 C LIG 1 1.432 0.102 0.168 0.00 0.00 +0.056 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 0.426 2.114 1.236 0.00 0.00 -0.005 A ATOM 8 C LIG 1 0.025 2.186 2.604 0.00 0.00 +0.008 A ATOM 9 C LIG 1 0.191 3.394 3.321 0.00 0.00 +0.072 A ATOM 10 N LIG 1 -0.159 3.538 4.611 0.00 0.00 -0.255 NA ATOM 11 C LIG 1 -0.694 2.477 5.250 0.00 0.00 +0.111 A ATOM 12 C LIG 1 -0.899 1.251 4.656 0.00 0.00 +0.020 A ATOM 13 C LIG 1 0.745 4.488 2.675 0.00 0.00 +0.028 A ATOM 14 C LIG 1 1.146 4.431 1.341 0.00 0.00 +0.003 A ATOM 15 C LIG 1 -0.534 1.106 3.323 0.00 0.00 +0.012 A ATOM 16 C LIG 1 0.989 3.250 0.628 0.00 0.00 +0.009 A ENDBRANCH 5 7 BRANCH 1 18 ATOM 17 C LIG 1 3.701 -1.974 -0.789 0.00 0.00 +0.235 C ATOM 18 N LIG 1 2.350 -1.934 -0.910 0.00 0.00 -0.269 N ATOM 19 H LIG 1 1.992 -2.747 -1.400 0.00 0.00 +0.156 HD ATOM 20 O LIG 1 4.273 -2.984 -1.222 0.00 0.00 -0.274 OA BRANCH 17 21 ATOM 21 C LIG 1 4.520 -0.844 -0.143 0.00 0.00 +0.137 C ATOM 22 C LIG 1 4.571 -1.064 1.367 0.00 0.00 +0.034 C BRANCH 21 24 ATOM 23 C LIG 1 6.009 -0.332 -2.007 0.00 0.00 +0.101 C ATOM 24 N LIG 1 5.917 -0.857 -0.648 0.00 0.00 -0.309 NA ATOM 25 H LIG 1 6.219 -1.838 -0.667 0.00 0.00 +0.122 HD ENDBRANCH 21 24 ENDBRANCH 17 21 ENDBRANCH 1 18 BRANCH 3 26 ATOM 26 C LIG 1 -2.179 -1.312 -1.286 0.00 0.00 -0.037 C ATOM 27 C LIG 1 -3.200 -1.783 -1.708 0.00 0.00 -0.059 C BRANCH 27 28 ATOM 28 C LIG 1 -4.419 -2.337 -2.210 0.00 0.00 +0.025 A ATOM 29 C LIG 1 -5.644 -1.928 -1.679 0.00 0.00 +0.017 A ATOM 30 C LIG 1 -6.834 -2.467 -2.171 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -6.800 -3.415 -3.194 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -5.577 -3.825 -3.725 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -4.387 -3.287 -3.234 0.00 0.00 +0.017 A ENDBRANCH 27 28 ENDBRANCH 3 26 BRANCH 4 34 ATOM 34 O LIG 1 -2.084 1.162 0.183 0.00 0.00 -0.492 OA ATOM 35 C LIG 1 -2.391 2.056 -0.888 0.00 0.00 +0.277 C ENDBRANCH 4 34 TORSDOF 7