REMARK Name = BDB041395 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.803 -1.627 -1.181 0.00 0.00 -0.019 A ATOM 2 C LIG 1 -0.756 -2.924 -1.748 0.00 0.00 +0.024 A ATOM 3 C LIG 1 0.429 -3.665 -1.785 0.00 0.00 -0.010 A ATOM 4 C LIG 1 0.234 -4.943 -2.412 0.00 0.00 +0.016 A ATOM 5 C LIG 1 -1.059 -5.143 -2.830 0.00 0.00 +0.046 A ATOM 6 C LIG 1 1.610 -3.094 -1.236 0.00 0.00 +0.013 A ATOM 7 C LIG 1 1.611 -1.814 -0.660 0.00 0.00 -0.039 A ATOM 8 S LIG 1 -2.055 -3.808 -2.475 0.00 0.00 -0.096 S ATOM 9 C LIG 1 0.396 -1.117 -0.636 0.00 0.00 +0.010 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 -2.051 -0.766 -1.120 0.00 0.00 +0.121 C BRANCH 10 19 ATOM 11 C LIG 1 -5.248 -0.255 0.946 0.00 0.00 +0.187 C ATOM 12 O LIG 1 -4.837 0.487 2.114 0.00 0.00 -0.486 OA ATOM 13 C LIG 1 -3.619 1.099 2.125 0.00 0.00 +0.144 A ATOM 14 C LIG 1 -2.421 0.482 1.772 0.00 0.00 +0.100 A ATOM 15 N LIG 1 -1.216 1.113 1.824 0.00 0.00 -0.213 NA ATOM 16 C LIG 1 -1.206 2.369 2.291 0.00 0.00 +0.213 A ATOM 17 C LIG 1 -2.339 3.057 2.694 0.00 0.00 +0.070 A ATOM 18 C LIG 1 -2.433 -0.950 1.295 0.00 0.00 +0.144 C ATOM 19 N LIG 1 -3.000 -1.136 -0.050 0.00 0.00 -0.289 NA ATOM 20 C LIG 1 -3.567 2.402 2.611 0.00 0.00 +0.053 A ATOM 21 C LIG 1 -4.253 -0.368 -0.243 0.00 0.00 +0.129 C BRANCH 11 23 ATOM 22 C LIG 1 -6.989 -1.492 2.336 0.00 0.00 +0.007 C ATOM 23 C LIG 1 -5.806 -1.622 1.381 0.00 0.00 +0.042 C ENDBRANCH 11 23 BRANCH 16 24 ATOM 24 O LIG 1 0.032 2.933 2.355 0.00 0.00 -0.492 OA ATOM 25 H LIG 1 -0.053 3.823 2.733 0.00 0.00 +0.294 HD ENDBRANCH 16 24 ENDBRANCH 10 19 ENDBRANCH 1 10 BRANCH 7 26 ATOM 26 C LIG 1 2.847 -1.179 -0.008 0.00 0.00 +0.060 C BRANCH 26 27 ATOM 27 C LIG 1 3.061 0.299 -0.412 0.00 0.00 -0.033 A ATOM 28 C LIG 1 3.342 0.736 -1.738 0.00 0.00 -0.017 A ATOM 29 C LIG 1 3.474 -0.202 -2.906 0.00 0.00 +0.046 C ATOM 30 C LIG 1 3.527 2.127 -1.943 0.00 0.00 +0.117 A ATOM 31 N LIG 1 3.823 2.806 -3.100 0.00 0.00 -0.129 NA ATOM 32 N LIG 1 3.897 4.096 -2.823 0.00 0.00 -0.065 NA ATOM 33 N LIG 1 3.668 4.241 -1.506 0.00 0.00 -0.246 N ATOM 34 C LIG 1 3.743 5.559 -0.925 0.00 0.00 +0.175 C ATOM 35 C LIG 1 3.422 3.036 -0.894 0.00 0.00 +0.106 A ATOM 36 C LIG 1 3.131 2.625 0.409 0.00 0.00 +0.079 A ATOM 37 C LIG 1 2.957 1.255 0.630 0.00 0.00 +0.025 A BRANCH 36 38 ATOM 38 C LIG 1 3.026 3.581 1.466 0.00 0.00 +0.101 C ATOM 39 N LIG 1 2.954 4.401 2.286 0.00 0.00 -0.191 NA ENDBRANCH 36 38 ENDBRANCH 26 27 BRANCH 26 40 ATOM 40 C LIG 1 4.151 -1.992 -0.100 0.00 0.00 +0.133 C BRANCH 40 41 ATOM 41 C LIG 1 5.224 -1.409 0.777 0.00 0.00 +0.306 C ATOM 42 O LIG 1 5.110 -1.083 1.947 0.00 0.00 -0.251 OA BRANCH 41 43 ATOM 43 O LIG 1 6.410 -1.299 0.150 0.00 0.00 -0.481 OA ATOM 44 H LIG 1 7.008 -0.948 0.840 0.00 0.00 +0.295 HD ENDBRANCH 41 43 ENDBRANCH 40 41 ENDBRANCH 26 40 ENDBRANCH 7 26 TORSDOF 10