REMARK Name = BDB011490 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.746 1.953 -1.804 0.00 0.00 +0.170 C ATOM 2 C LIG 1 -2.827 0.857 -1.743 0.00 0.00 +0.241 C ATOM 3 O LIG 1 -3.610 0.738 -2.691 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -2.865 0.007 -0.633 0.00 0.00 -0.264 N ATOM 5 C LIG 1 -1.811 -0.098 0.335 0.00 0.00 +0.052 A ATOM 6 C LIG 1 -0.440 -0.135 -0.018 0.00 0.00 +0.051 A ATOM 7 C LIG 1 0.553 -0.198 0.994 0.00 0.00 +0.049 A ATOM 8 C LIG 1 0.166 -0.213 2.335 0.00 0.00 +0.024 A ATOM 9 C LIG 1 -1.183 -0.192 2.682 0.00 0.00 +0.004 A ATOM 10 S LIG 1 0.086 -0.251 -1.740 0.00 0.00 -0.119 S ATOM 11 C LIG 1 -2.162 -0.139 1.692 0.00 0.00 +0.025 A ATOM 12 C LIG 1 -0.441 1.381 -2.366 0.00 0.00 +0.106 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 -0.915 3.889 -0.491 0.00 0.00 +0.230 C ATOM 14 N LIG 1 -1.585 2.687 -0.541 0.00 0.00 -0.302 N ATOM 15 H LIG 1 -2.237 2.481 0.205 0.00 0.00 +0.150 HD ATOM 16 O LIG 1 -0.378 4.374 -1.486 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 -0.945 4.638 0.861 0.00 0.00 +0.137 C ATOM 18 C LIG 1 -0.915 3.738 2.092 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 -3.377 5.121 0.843 0.00 0.00 +0.101 C ATOM 20 N LIG 1 -2.024 5.648 0.884 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 -1.884 6.271 0.084 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 7 22 ATOM 22 N LIG 1 1.911 -0.238 0.591 0.00 0.00 -0.280 N ATOM 23 H LIG 1 2.030 -0.292 -0.416 0.00 0.00 +0.155 HD ATOM 24 C LIG 1 3.040 -0.306 1.382 0.00 0.00 +0.248 C ATOM 25 O LIG 1 3.076 -0.384 2.604 0.00 0.00 -0.270 OA BRANCH 24 26 ATOM 26 C LIG 1 4.333 -0.301 0.637 0.00 0.00 +0.037 A ATOM 27 C LIG 1 4.503 0.421 -0.553 0.00 0.00 +0.014 A ATOM 28 C LIG 1 5.737 0.408 -1.216 0.00 0.00 +0.012 A ATOM 29 C LIG 1 6.814 -0.317 -0.690 0.00 0.00 +0.017 A ATOM 30 C LIG 1 6.643 -1.027 0.506 0.00 0.00 +0.012 A ATOM 31 C LIG 1 5.412 -1.014 1.169 0.00 0.00 +0.014 A BRANCH 29 32 ATOM 32 C LIG 1 8.150 -0.358 -1.358 0.00 0.00 +0.160 C ATOM 33 O LIG 1 9.036 -1.083 -0.911 0.00 0.00 -0.292 OA ATOM 34 C LIG 1 8.381 0.491 -2.581 0.00 0.00 +0.091 C ENDBRANCH 29 32 ENDBRANCH 24 26 ENDBRANCH 7 22 BRANCH 4 35 ATOM 35 C LIG 1 -3.946 -0.996 -0.568 0.00 0.00 +0.149 C BRANCH 35 36 ATOM 36 C LIG 1 -3.472 -2.403 -0.898 0.00 0.00 -0.022 A ATOM 37 C LIG 1 -3.413 -3.461 0.058 0.00 0.00 -0.013 A ATOM 38 C LIG 1 -2.919 -4.725 -0.361 0.00 0.00 -0.018 A ATOM 39 C LIG 1 -2.840 -5.794 0.547 0.00 0.00 +0.008 A ATOM 40 C LIG 1 -3.247 -5.646 1.871 0.00 0.00 +0.001 A ATOM 41 C LIG 1 -3.738 -4.424 2.302 0.00 0.00 +0.001 A ATOM 42 C LIG 1 -2.510 -4.919 -1.688 0.00 0.00 +0.008 A ATOM 43 C LIG 1 -2.591 -3.890 -2.618 0.00 0.00 +0.001 A ATOM 44 C LIG 1 -3.819 -3.350 1.411 0.00 0.00 +0.009 A ATOM 45 C LIG 1 -3.069 -2.647 -2.227 0.00 0.00 +0.006 A ENDBRANCH 35 36 ENDBRANCH 4 35 TORSDOF 8