REMARK Name = BDB021551 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.259 2.476 1.743 0.00 0.00 +0.053 C ATOM 2 C LIG 1 -1.278 3.136 0.780 0.00 0.00 +0.188 C ATOM 3 O LIG 1 0.013 3.247 1.360 0.00 0.00 -0.487 OA ATOM 4 C LIG 1 0.916 2.231 1.318 0.00 0.00 +0.137 A ATOM 5 C LIG 1 0.815 0.952 0.772 0.00 0.00 +0.079 A ATOM 6 C LIG 1 1.923 0.083 0.905 0.00 0.00 +0.020 A ATOM 7 C LIG 1 3.106 0.471 1.544 0.00 0.00 +0.046 A ATOM 8 C LIG 1 3.209 1.747 2.072 0.00 0.00 +0.124 A ATOM 9 C LIG 1 -0.339 0.350 0.044 0.00 0.00 +0.250 C ATOM 10 O LIG 1 -0.480 -0.875 0.080 0.00 0.00 -0.270 OA ATOM 11 N LIG 1 -1.218 1.129 -0.693 0.00 0.00 -0.291 N ATOM 12 C LIG 1 2.115 2.606 1.957 0.00 0.00 +0.092 A ATOM 13 C LIG 1 -1.249 2.579 -0.641 0.00 0.00 +0.152 C ENDROOT BRANCH 8 14 ATOM 14 O LIG 1 4.286 2.284 2.712 0.00 0.00 -0.489 OA BRANCH 14 15 ATOM 15 C LIG 1 5.485 1.512 2.845 0.00 0.00 +0.176 C ATOM 16 C LIG 1 6.303 1.548 1.544 0.00 0.00 +0.060 C ATOM 17 C LIG 1 7.814 1.605 1.786 0.00 0.00 +0.087 C ATOM 18 N LIG 1 8.155 0.806 2.962 0.00 0.00 -0.305 NA ATOM 19 C LIG 1 9.594 0.582 3.071 0.00 0.00 +0.104 C ATOM 20 C LIG 1 7.618 1.397 4.196 0.00 0.00 +0.087 C ATOM 21 C LIG 1 6.290 2.130 3.988 0.00 0.00 +0.060 C ENDBRANCH 14 15 ENDBRANCH 8 14 BRANCH 11 22 ATOM 22 C LIG 1 -2.137 0.458 -1.633 0.00 0.00 +0.140 C BRANCH 22 23 ATOM 23 C LIG 1 -3.418 -0.061 -0.947 0.00 0.00 +0.146 C BRANCH 23 24 ATOM 24 O LIG 1 -3.178 -1.241 -0.172 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 -2.218 -1.265 0.037 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 -4.561 -0.315 -1.964 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 -4.157 -1.007 -3.206 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -3.912 -2.450 -3.001 0.00 0.00 +0.120 C ATOM 29 C LIG 1 -5.159 -3.303 -2.877 0.00 0.00 -0.030 A ATOM 30 C LIG 1 -6.386 -2.874 -3.415 0.00 0.00 -0.042 A ATOM 31 C LIG 1 -7.512 -3.704 -3.331 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -7.418 -4.959 -2.733 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -6.202 -5.393 -2.208 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -6.508 -1.497 -4.016 0.00 0.00 +0.051 C ATOM 35 C LIG 1 -5.077 -4.570 -2.283 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -5.145 -0.841 -4.285 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 11 22 TORSDOF 7