REMARK Name = BDB061654 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.979 -1.235 1.427 0.00 0.00 +0.169 C ATOM 2 N LIG 1 0.074 -2.015 0.715 0.00 0.00 -0.302 N ATOM 3 H LIG 1 0.463 -2.661 1.396 0.00 0.00 +0.150 HD ATOM 4 C LIG 1 -0.226 -2.819 -0.364 0.00 0.00 +0.237 C ATOM 5 O LIG 1 -0.457 -4.010 -0.140 0.00 0.00 -0.274 OA ATOM 6 C LIG 1 -0.182 -2.253 -1.796 0.00 0.00 +0.197 C ATOM 7 C LIG 1 -1.493 -2.555 -2.533 0.00 0.00 +0.264 C ATOM 8 O LIG 1 -2.648 -2.102 -1.798 0.00 0.00 -0.459 OA ATOM 9 C LIG 1 -3.774 -2.018 -2.551 0.00 0.00 +0.340 C ATOM 10 O LIG 1 -3.812 -2.016 -3.772 0.00 0.00 -0.245 OA ATOM 11 C LIG 1 -5.003 -2.129 -1.718 0.00 0.00 +0.063 A ATOM 12 C LIG 1 -5.249 -1.457 -0.503 0.00 0.00 -0.024 A ATOM 13 C LIG 1 -6.499 -1.665 0.125 0.00 0.00 +0.005 A ATOM 14 C LIG 1 -7.462 -2.518 -0.417 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -7.209 -3.175 -1.612 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -4.309 -0.455 0.124 0.00 0.00 +0.105 C ATOM 17 S LIG 1 -3.812 -0.902 1.837 0.00 0.00 -0.154 S ATOM 18 C LIG 1 -5.992 -2.978 -2.260 0.00 0.00 +0.015 A ATOM 19 C LIG 1 -2.356 -1.944 1.478 0.00 0.00 +0.101 C ENDROOT BRANCH 1 22 ATOM 20 C LIG 1 -0.918 2.644 1.478 0.00 0.00 +0.131 C ATOM 21 N LIG 1 -1.012 1.261 1.922 0.00 0.00 -0.306 N ATOM 22 C LIG 1 -1.049 0.247 0.968 0.00 0.00 +0.236 C ATOM 23 O LIG 1 -1.144 0.524 -0.234 0.00 0.00 -0.274 OA ATOM 24 C LIG 1 -0.953 1.069 3.365 0.00 0.00 +0.131 C ENDBRANCH 1 22 BRANCH 6 25 ATOM 25 N LIG 1 0.182 -0.848 -1.898 0.00 0.00 -0.300 N ATOM 26 H LIG 1 -0.510 -0.185 -1.544 0.00 0.00 +0.150 HD ATOM 27 C LIG 1 1.499 -0.454 -1.800 0.00 0.00 +0.234 C ATOM 28 O LIG 1 2.429 -1.254 -1.721 0.00 0.00 -0.274 OA BRANCH 27 29 ATOM 29 C LIG 1 1.708 1.070 -1.688 0.00 0.00 +0.163 C ATOM 30 N LIG 1 3.120 1.480 -1.757 0.00 0.00 -0.274 N ATOM 31 C LIG 1 4.079 1.272 -0.782 0.00 0.00 +0.309 C ATOM 32 N LIG 1 3.730 0.329 0.159 0.00 0.00 -0.236 N ATOM 33 H LIG 1 3.428 -0.513 -0.327 0.00 0.00 +0.159 HD ATOM 34 C LIG 1 4.579 -0.040 1.179 0.00 0.00 +0.251 C ATOM 35 O LIG 1 4.886 -1.220 1.337 0.00 0.00 -0.270 OA ATOM 36 O LIG 1 5.128 1.911 -0.757 0.00 0.00 -0.252 OA ATOM 37 C LIG 1 3.327 2.474 -2.795 0.00 0.00 +0.110 C ATOM 38 C LIG 1 1.937 3.021 -3.070 0.00 0.00 +0.021 C ATOM 39 C LIG 1 1.046 1.806 -2.860 0.00 0.00 +0.033 C BRANCH 34 40 ATOM 40 C LIG 1 5.088 1.001 2.121 0.00 0.00 +0.037 A ATOM 41 C LIG 1 4.450 2.237 2.294 0.00 0.00 +0.013 A ATOM 42 C LIG 1 4.961 3.167 3.204 0.00 0.00 +0.001 A ATOM 43 C LIG 1 6.094 2.862 3.959 0.00 0.00 +0.000 A ATOM 44 C LIG 1 6.720 1.626 3.807 0.00 0.00 +0.001 A ATOM 45 C LIG 1 6.217 0.697 2.894 0.00 0.00 +0.013 A ENDBRANCH 34 40 ENDBRANCH 27 29 ENDBRANCH 6 25 TORSDOF 4