REMARK Name = BDB011538 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.687 -1.398 -0.908 0.00 0.00 +0.197 C ATOM 2 C LIG 1 -1.151 -0.202 -1.711 0.00 0.00 +0.244 C ATOM 3 O LIG 1 -1.577 0.938 -1.490 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -0.101 -0.464 -2.598 0.00 0.00 -0.262 N ATOM 5 C LIG 1 0.180 -1.773 -3.102 0.00 0.00 +0.079 A ATOM 6 C LIG 1 -0.842 -2.719 -3.285 0.00 0.00 +0.142 A ATOM 7 C LIG 1 -0.573 -3.992 -3.788 0.00 0.00 +0.047 A ATOM 8 C LIG 1 0.736 -4.351 -4.093 0.00 0.00 +0.004 A ATOM 9 C LIG 1 1.765 -3.426 -3.925 0.00 0.00 +0.002 A ATOM 10 O LIG 1 -2.160 -2.372 -3.152 0.00 0.00 -0.488 OA ATOM 11 C LIG 1 1.487 -2.142 -3.447 0.00 0.00 +0.027 A ATOM 12 C LIG 1 -2.558 -2.299 -1.781 0.00 0.00 +0.261 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 -2.825 -1.685 1.286 0.00 0.00 +0.230 C ATOM 14 N LIG 1 -2.406 -0.871 0.253 0.00 0.00 -0.300 N ATOM 15 H LIG 1 -2.372 0.137 0.385 0.00 0.00 +0.150 HD ATOM 16 O LIG 1 -2.695 -2.904 1.247 0.00 0.00 -0.274 OA BRANCH 13 18 ATOM 17 C LIG 1 -3.894 -1.857 3.569 0.00 0.00 +0.034 C ATOM 18 C LIG 1 -3.461 -0.902 2.460 0.00 0.00 +0.137 C BRANCH 18 19 ATOM 19 N LIG 1 -4.627 -0.142 1.946 0.00 0.00 -0.304 NA ATOM 20 H LIG 1 -4.453 0.128 0.977 0.00 0.00 +0.123 HD BRANCH 19 21 ATOM 21 C LIG 1 -4.883 1.070 2.746 0.00 0.00 +0.109 C BRANCH 21 22 ATOM 22 C LIG 1 -6.168 1.743 2.245 0.00 0.00 +0.171 C BRANCH 22 23 ATOM 23 O LIG 1 -7.240 0.802 2.261 0.00 0.00 -0.394 OA ATOM 24 H LIG 1 -6.822 -0.055 2.036 0.00 0.00 +0.209 HD ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 13 18 ENDBRANCH 1 14 BRANCH 4 25 ATOM 25 C LIG 1 0.561 0.683 -3.215 0.00 0.00 +0.149 C BRANCH 25 26 ATOM 26 C LIG 1 1.408 1.537 -2.281 0.00 0.00 -0.019 A ATOM 27 C LIG 1 2.105 1.087 -1.129 0.00 0.00 +0.025 A ATOM 28 C LIG 1 2.234 -0.134 -0.435 0.00 0.00 +0.143 A ATOM 29 N LIG 1 2.997 -0.049 0.649 0.00 0.00 -0.174 NA ATOM 30 N LIG 1 3.445 1.226 0.654 0.00 0.00 -0.231 N ATOM 31 C LIG 1 2.877 1.980 -0.376 0.00 0.00 +0.075 A ATOM 32 C LIG 1 2.933 3.350 -0.689 0.00 0.00 +0.028 A ATOM 33 C LIG 1 2.261 3.795 -1.825 0.00 0.00 +0.002 A ATOM 34 C LIG 1 1.534 2.908 -2.610 0.00 0.00 +0.006 A BRANCH 30 35 ATOM 35 C LIG 1 4.453 1.603 1.588 0.00 0.00 +0.083 A ATOM 36 C LIG 1 4.535 1.004 2.862 0.00 0.00 +0.077 A ATOM 37 C LIG 1 5.586 1.366 3.724 0.00 0.00 +0.021 A ATOM 38 C LIG 1 6.546 2.300 3.332 0.00 0.00 +0.001 A ATOM 39 C LIG 1 6.468 2.885 2.074 0.00 0.00 +0.002 A ATOM 40 C LIG 1 5.431 2.539 1.204 0.00 0.00 +0.029 A BRANCH 36 41 ATOM 41 C LIG 1 3.552 0.094 3.391 0.00 0.00 +0.101 C ATOM 42 N LIG 1 2.786 -0.607 3.912 0.00 0.00 -0.191 NA ENDBRANCH 36 41 ENDBRANCH 30 35 ENDBRANCH 25 26 ENDBRANCH 4 25 TORSDOF 10