REMARK Name = BDB011486 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.709 1.646 0.512 0.00 0.00 +0.170 C ATOM 2 C LIG 1 -2.759 0.563 0.821 0.00 0.00 +0.241 C ATOM 3 O LIG 1 -3.746 0.857 1.509 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -2.583 -0.704 0.261 0.00 0.00 -0.264 N ATOM 5 C LIG 1 -1.434 -1.057 -0.527 0.00 0.00 +0.052 A ATOM 6 C LIG 1 -0.112 -0.811 -0.083 0.00 0.00 +0.051 A ATOM 7 C LIG 1 0.998 -1.177 -0.888 0.00 0.00 +0.049 A ATOM 8 C LIG 1 0.772 -1.776 -2.127 0.00 0.00 +0.024 A ATOM 9 C LIG 1 -0.527 -2.037 -2.559 0.00 0.00 +0.004 A ATOM 10 S LIG 1 0.201 -0.175 1.581 0.00 0.00 -0.119 S ATOM 11 C LIG 1 -1.618 -1.689 -1.765 0.00 0.00 +0.025 A ATOM 12 C LIG 1 -0.466 1.506 1.391 0.00 0.00 +0.106 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 -1.836 4.122 0.258 0.00 0.00 +0.230 C ATOM 14 N LIG 1 -2.362 2.944 0.727 0.00 0.00 -0.302 N ATOM 15 H LIG 1 -3.241 2.926 1.237 0.00 0.00 +0.150 HD ATOM 16 O LIG 1 -0.741 4.160 -0.303 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 -2.664 5.397 0.569 0.00 0.00 +0.137 C ATOM 18 C LIG 1 -4.114 5.258 0.113 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 -2.122 7.768 0.642 0.00 0.00 +0.101 C ATOM 20 N LIG 1 -2.052 6.542 -0.139 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 -1.068 6.311 -0.318 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 7 22 ATOM 22 N LIG 1 2.298 -0.914 -0.390 0.00 0.00 -0.284 N ATOM 23 H LIG 1 2.307 -0.501 0.538 0.00 0.00 +0.155 HD ATOM 24 C LIG 1 3.522 -1.177 -0.981 0.00 0.00 +0.220 C ATOM 25 O LIG 1 3.691 -1.722 -2.066 0.00 0.00 -0.275 OA BRANCH 24 26 ATOM 26 C LIG 1 4.691 -0.699 -0.113 0.00 0.00 +0.078 C ATOM 27 C LIG 1 4.719 0.839 -0.020 0.00 0.00 +0.028 C ATOM 28 C LIG 1 5.757 1.440 -0.967 0.00 0.00 +0.085 C ATOM 29 N LIG 1 7.121 0.966 -0.712 0.00 0.00 -0.305 NA ATOM 30 C LIG 1 7.902 1.915 0.076 0.00 0.00 +0.104 C ATOM 31 C LIG 1 7.190 -0.382 -0.133 0.00 0.00 +0.085 C ATOM 32 C LIG 1 6.036 -1.262 -0.601 0.00 0.00 +0.028 C ENDBRANCH 24 26 ENDBRANCH 7 22 BRANCH 4 33 ATOM 33 C LIG 1 -3.720 -1.639 0.329 0.00 0.00 +0.149 C BRANCH 33 34 ATOM 34 C LIG 1 -3.342 -3.060 0.718 0.00 0.00 -0.022 A ATOM 35 C LIG 1 -3.747 -4.209 -0.025 0.00 0.00 -0.013 A ATOM 36 C LIG 1 -3.323 -5.488 0.424 0.00 0.00 -0.018 A ATOM 37 C LIG 1 -3.685 -6.646 -0.284 0.00 0.00 +0.008 A ATOM 38 C LIG 1 -4.469 -6.572 -1.432 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -4.905 -5.335 -1.884 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -2.543 -5.607 1.583 0.00 0.00 +0.008 A ATOM 41 C LIG 1 -2.180 -4.485 2.319 0.00 0.00 +0.001 A ATOM 42 C LIG 1 -4.552 -4.174 -1.191 0.00 0.00 +0.009 A ATOM 43 C LIG 1 -2.582 -3.225 1.895 0.00 0.00 +0.006 A ENDBRANCH 33 34 ENDBRANCH 4 33 TORSDOF 7