REMARK Name = BDB036370 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.939 -1.569 -1.801 0.00 0.00 -0.019 A ATOM 2 C LIG 1 -1.013 -1.209 -3.169 0.00 0.00 +0.024 A ATOM 3 C LIG 1 0.136 -1.026 -3.946 0.00 0.00 -0.010 A ATOM 4 C LIG 1 -0.190 -0.661 -5.297 0.00 0.00 +0.016 A ATOM 5 C LIG 1 -1.543 -0.577 -5.517 0.00 0.00 +0.046 A ATOM 6 C LIG 1 1.405 -1.197 -3.336 0.00 0.00 +0.013 A ATOM 7 C LIG 1 1.524 -1.560 -1.988 0.00 0.00 -0.039 A ATOM 8 S LIG 1 -2.438 -0.929 -4.114 0.00 0.00 -0.096 S ATOM 9 C LIG 1 0.348 -1.755 -1.253 0.00 0.00 +0.010 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 -2.151 -1.730 -0.902 0.00 0.00 +0.121 C BRANCH 10 20 ATOM 11 C LIG 1 -1.939 0.171 1.816 0.00 0.00 +0.187 C ATOM 12 O LIG 1 -3.047 0.750 2.526 0.00 0.00 -0.486 OA ATOM 13 C LIG 1 -4.165 1.159 1.867 0.00 0.00 +0.144 A ATOM 14 C LIG 1 -4.716 0.625 0.700 0.00 0.00 +0.100 A ATOM 15 N LIG 1 -5.857 1.130 0.142 0.00 0.00 -0.255 NA ATOM 16 C LIG 1 -6.455 2.174 0.753 0.00 0.00 +0.111 A ATOM 17 C LIG 1 -5.989 2.745 1.919 0.00 0.00 +0.023 A ATOM 18 C LIG 1 -4.147 -0.611 0.013 0.00 0.00 +0.106 C ATOM 19 C LIG 1 -4.457 -1.850 0.876 0.00 0.00 +0.031 C ATOM 20 N LIG 1 -2.765 -0.458 -0.502 0.00 0.00 -0.286 NA ATOM 21 C LIG 1 -4.831 2.222 2.482 0.00 0.00 +0.049 A ATOM 22 C LIG 1 -1.900 0.422 0.296 0.00 0.00 +0.130 C BRANCH 11 24 ATOM 23 C LIG 1 -0.465 2.213 2.360 0.00 0.00 +0.007 C ATOM 24 C LIG 1 -0.663 0.708 2.498 0.00 0.00 +0.042 C ENDBRANCH 11 24 ENDBRANCH 10 20 ENDBRANCH 1 10 BRANCH 7 25 ATOM 25 C LIG 1 2.865 -1.700 -1.259 0.00 0.00 +0.060 C BRANCH 25 26 ATOM 26 C LIG 1 3.066 -0.557 -0.246 0.00 0.00 -0.031 A ATOM 27 C LIG 1 3.280 -0.813 1.139 0.00 0.00 -0.017 A ATOM 28 C LIG 1 3.344 -2.211 1.690 0.00 0.00 +0.046 C ATOM 29 C LIG 1 3.430 0.304 1.994 0.00 0.00 +0.119 A ATOM 30 N LIG 1 3.630 0.348 3.352 0.00 0.00 -0.129 NA ATOM 31 N LIG 1 3.725 1.617 3.718 0.00 0.00 -0.065 NA ATOM 32 N LIG 1 3.610 2.365 2.608 0.00 0.00 -0.243 N ATOM 33 C LIG 1 3.758 3.793 2.700 0.00 0.00 +0.175 C ATOM 34 C LIG 1 3.377 1.602 1.496 0.00 0.00 +0.130 A ATOM 35 C LIG 1 3.161 1.862 0.146 0.00 0.00 +0.144 A ATOM 36 C LIG 1 3.025 0.774 -0.713 0.00 0.00 +0.052 A BRANCH 35 37 ATOM 37 O LIG 1 3.060 3.117 -0.394 0.00 0.00 -0.505 OA ATOM 38 H LIG 1 2.625 3.694 0.254 0.00 0.00 +0.292 HD ENDBRANCH 35 37 ENDBRANCH 25 26 BRANCH 25 39 ATOM 39 C LIG 1 4.121 -1.824 -2.137 0.00 0.00 +0.133 C BRANCH 39 40 ATOM 40 C LIG 1 4.118 -3.121 -2.894 0.00 0.00 +0.306 C ATOM 41 O LIG 1 3.914 -4.231 -2.433 0.00 0.00 -0.251 OA BRANCH 40 42 ATOM 42 O LIG 1 4.404 -2.962 -4.200 0.00 0.00 -0.481 OA ATOM 43 H LIG 1 4.377 -3.873 -4.564 0.00 0.00 +0.295 HD ENDBRANCH 40 42 ENDBRANCH 39 40 ENDBRANCH 25 39 ENDBRANCH 7 25 TORSDOF 9