REMARK Name = BDB008378 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.781 1.740 0.205 0.00 0.00 +0.077 A ATOM 2 C LIG 1 -0.449 1.070 0.351 0.00 0.00 +0.144 A ATOM 3 C LIG 1 -1.585 1.786 0.742 0.00 0.00 +0.075 A ATOM 4 C LIG 1 -1.544 3.153 0.974 0.00 0.00 +0.075 A ATOM 5 C LIG 1 -0.316 3.824 0.812 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -0.286 5.206 1.046 0.00 0.00 +0.011 A ATOM 7 C LIG 1 -1.446 5.868 1.427 0.00 0.00 +0.020 A ATOM 8 C LIG 1 -2.601 5.123 1.562 0.00 0.00 +0.111 A ATOM 9 N LIG 1 -2.668 3.791 1.346 0.00 0.00 -0.255 NA ATOM 10 C LIG 1 0.837 3.115 0.431 0.00 0.00 +0.037 A ENDROOT BRANCH 1 13 ATOM 11 O LIG 1 3.588 2.534 -0.363 0.00 0.00 -0.270 OA ATOM 12 C LIG 1 3.196 1.371 -0.402 0.00 0.00 +0.251 C ATOM 13 N LIG 1 1.902 0.961 -0.160 0.00 0.00 -0.278 N ATOM 14 H LIG 1 1.705 -0.037 -0.250 0.00 0.00 +0.155 HD BRANCH 12 15 ATOM 15 C LIG 1 4.131 0.289 -0.736 0.00 0.00 +0.070 A ATOM 16 C LIG 1 3.879 -1.126 -0.763 0.00 0.00 +0.093 A ATOM 17 C LIG 1 5.006 -1.862 -1.119 0.00 0.00 +0.056 A ATOM 18 C LIG 1 4.915 -3.244 -1.182 0.00 0.00 +0.129 A ATOM 19 N LIG 1 3.743 -3.843 -0.895 0.00 0.00 -0.243 NA ATOM 20 C LIG 1 2.707 -3.060 -0.561 0.00 0.00 +0.221 A ATOM 21 S LIG 1 6.352 -0.850 -1.420 0.00 0.00 -0.093 S ATOM 22 N LIG 1 2.689 -1.724 -0.478 0.00 0.00 -0.234 NA ATOM 23 C LIG 1 5.449 0.554 -1.074 0.00 0.00 +0.061 A ENDBRANCH 12 15 ENDBRANCH 1 13 BRANCH 2 24 ATOM 24 O LIG 1 -0.416 -0.282 0.102 0.00 0.00 -0.487 OA BRANCH 24 25 ATOM 25 C LIG 1 -1.652 -0.994 -0.044 0.00 0.00 +0.174 C ATOM 26 C LIG 1 -2.074 -1.584 1.302 0.00 0.00 +0.047 C ATOM 27 C LIG 1 -3.384 -2.372 1.210 0.00 0.00 +0.035 C ATOM 28 C LIG 1 -3.620 -3.004 -0.166 0.00 0.00 +0.115 C ATOM 29 C LIG 1 -2.307 -3.345 -0.863 0.00 0.00 +0.035 C ATOM 30 C LIG 1 -1.408 -2.120 -1.064 0.00 0.00 +0.047 C BRANCH 28 31 ATOM 31 O LIG 1 -4.336 -2.088 -0.992 0.00 0.00 -0.392 OA ATOM 32 H LIG 1 -5.221 -1.970 -0.603 0.00 0.00 +0.210 HD ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 2 24 TORSDOF 5