REMARK Name = BDB036369 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.680 0.160 -1.321 0.00 0.00 -0.019 A ATOM 2 C LIG 1 -0.480 1.294 -2.149 0.00 0.00 +0.024 A ATOM 3 C LIG 1 0.600 2.162 -1.960 0.00 0.00 -0.010 A ATOM 4 C LIG 1 0.593 3.236 -2.913 0.00 0.00 +0.016 A ATOM 5 C LIG 1 -0.463 3.167 -3.789 0.00 0.00 +0.046 A ATOM 6 C LIG 1 1.510 1.887 -0.912 0.00 0.00 +0.013 A ATOM 7 C LIG 1 1.360 0.766 -0.075 0.00 0.00 -0.039 A ATOM 8 S LIG 1 -1.454 1.819 -3.481 0.00 0.00 -0.096 S ATOM 9 C LIG 1 0.266 -0.074 -0.296 0.00 0.00 +0.010 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 -1.844 -0.802 -1.489 0.00 0.00 +0.121 C BRANCH 10 20 ATOM 11 C LIG 1 -3.754 -1.048 1.238 0.00 0.00 +0.187 C ATOM 12 O LIG 1 -5.165 -1.321 1.228 0.00 0.00 -0.486 OA ATOM 13 C LIG 1 -5.968 -0.802 0.260 0.00 0.00 +0.144 A ATOM 14 C LIG 1 -5.646 -0.576 -1.080 0.00 0.00 +0.100 A ATOM 15 N LIG 1 -6.550 -0.060 -1.965 0.00 0.00 -0.255 NA ATOM 16 C LIG 1 -7.787 0.231 -1.511 0.00 0.00 +0.111 A ATOM 17 C LIG 1 -8.192 0.018 -0.208 0.00 0.00 +0.023 A ATOM 18 C LIG 1 -4.297 -0.963 -1.671 0.00 0.00 +0.106 C ATOM 19 C LIG 1 -4.205 -2.500 -1.759 0.00 0.00 +0.031 C ATOM 20 N LIG 1 -3.138 -0.241 -1.093 0.00 0.00 -0.286 NA ATOM 21 C LIG 1 -7.267 -0.513 0.682 0.00 0.00 +0.049 A ATOM 22 C LIG 1 -3.262 0.098 0.331 0.00 0.00 +0.130 C BRANCH 11 24 ATOM 23 C LIG 1 -4.028 0.455 3.312 0.00 0.00 +0.007 C ATOM 24 C LIG 1 -3.377 -0.785 2.711 0.00 0.00 +0.042 C ENDBRANCH 11 24 ENDBRANCH 10 20 ENDBRANCH 1 10 BRANCH 7 25 ATOM 25 C LIG 1 2.382 0.546 1.042 0.00 0.00 +0.060 C BRANCH 25 26 ATOM 26 C LIG 1 3.830 0.384 0.536 0.00 0.00 -0.031 A ATOM 27 C LIG 1 4.236 -0.580 -0.434 0.00 0.00 -0.017 A ATOM 28 C LIG 1 3.280 -1.496 -1.145 0.00 0.00 +0.046 C ATOM 29 C LIG 1 5.613 -0.625 -0.764 0.00 0.00 +0.119 A ATOM 30 N LIG 1 6.281 -1.435 -1.649 0.00 0.00 -0.129 NA ATOM 31 N LIG 1 7.569 -1.121 -1.613 0.00 0.00 -0.065 NA ATOM 32 N LIG 1 7.714 -0.122 -0.724 0.00 0.00 -0.243 N ATOM 33 C LIG 1 9.012 0.443 -0.470 0.00 0.00 +0.175 C ATOM 34 C LIG 1 6.521 0.228 -0.154 0.00 0.00 +0.130 A ATOM 35 C LIG 1 6.149 1.165 0.798 0.00 0.00 +0.144 A ATOM 36 C LIG 1 4.798 1.233 1.130 0.00 0.00 +0.052 A BRANCH 35 37 ATOM 37 O LIG 1 7.077 1.976 1.383 0.00 0.00 -0.505 OA ATOM 38 H LIG 1 6.636 2.515 2.063 0.00 0.00 +0.292 HD ENDBRANCH 35 37 ENDBRANCH 25 26 BRANCH 25 39 ATOM 39 C LIG 1 2.044 -0.554 2.065 0.00 0.00 +0.133 C BRANCH 39 40 ATOM 40 C LIG 1 2.889 -0.406 3.304 0.00 0.00 +0.306 C ATOM 41 O LIG 1 2.679 0.434 4.166 0.00 0.00 -0.251 OA BRANCH 40 42 ATOM 42 O LIG 1 3.929 -1.263 3.371 0.00 0.00 -0.481 OA ATOM 43 H LIG 1 4.047 -1.830 2.584 0.00 0.00 +0.295 HD ENDBRANCH 40 42 ENDBRANCH 39 40 ENDBRANCH 25 39 ENDBRANCH 7 25 TORSDOF 9