REMARK Name = BDB045782 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.043 0.697 -1.750 0.00 0.00 +0.248 C ATOM 2 N LIG 1 -0.341 0.056 -0.746 0.00 0.00 -0.282 N ATOM 3 H LIG 1 -0.871 -0.540 -0.121 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 -0.584 1.337 -2.687 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 8 ATOM 5 C LIG 1 -5.305 0.161 -1.589 0.00 0.00 +0.128 A ATOM 6 C LIG 1 -4.583 0.347 -0.389 0.00 0.00 +0.031 A ATOM 7 C LIG 1 -3.192 0.540 -0.447 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -2.520 0.533 -1.673 0.00 0.00 +0.038 A ATOM 9 C LIG 1 -3.245 0.386 -2.857 0.00 0.00 +0.016 A ATOM 10 C LIG 1 -4.629 0.198 -2.815 0.00 0.00 +0.047 A BRANCH 6 11 ATOM 11 C LIG 1 -5.229 0.327 0.942 0.00 0.00 +0.066 A ATOM 12 C LIG 1 -4.751 -0.582 2.031 0.00 0.00 +0.262 A ATOM 13 O LIG 1 -3.771 -1.311 1.894 0.00 0.00 -0.267 OA ATOM 14 N LIG 1 -5.452 -0.546 3.205 0.00 0.00 -0.275 N ATOM 15 H LIG 1 -5.142 -1.149 3.950 0.00 0.00 +0.173 HD ATOM 16 C LIG 1 -6.475 0.311 3.489 0.00 0.00 +0.327 A ATOM 17 O LIG 1 -7.024 0.338 4.585 0.00 0.00 -0.247 OA ATOM 18 N LIG 1 -6.840 1.148 2.473 0.00 0.00 -0.314 N ATOM 19 H LIG 1 -7.606 1.781 2.675 0.00 0.00 +0.170 HD ATOM 20 C LIG 1 -6.245 1.152 1.242 0.00 0.00 +0.101 A ENDBRANCH 6 11 BRANCH 5 22 ATOM 21 C LIG 1 -7.384 -0.380 -2.640 0.00 0.00 +0.277 C ATOM 22 O LIG 1 -6.656 -0.049 -1.463 0.00 0.00 -0.494 OA ENDBRANCH 5 22 ENDBRANCH 1 8 BRANCH 2 23 ATOM 23 C LIG 1 1.054 0.065 -0.537 0.00 0.00 +0.034 A ATOM 24 C LIG 1 1.548 -0.723 0.508 0.00 0.00 +0.025 A ATOM 25 C LIG 1 2.920 -0.763 0.784 0.00 0.00 +0.025 A ATOM 26 C LIG 1 3.822 -0.015 0.022 0.00 0.00 +0.034 A ATOM 27 C LIG 1 3.329 0.772 -1.017 0.00 0.00 +0.025 A ATOM 28 C LIG 1 1.954 0.812 -1.294 0.00 0.00 +0.025 A BRANCH 26 29 ATOM 29 N LIG 1 5.182 -0.108 0.360 0.00 0.00 -0.280 N ATOM 30 H LIG 1 5.438 -0.714 1.137 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 6.260 0.525 -0.229 0.00 0.00 +0.267 C ATOM 32 O LIG 1 6.239 1.304 -1.174 0.00 0.00 -0.268 OA BRANCH 31 33 ATOM 33 C LIG 1 7.565 0.166 0.420 0.00 0.00 +0.126 A ATOM 34 N LIG 1 7.493 -0.708 1.468 0.00 0.00 -0.250 NA ATOM 35 C LIG 1 8.665 -1.034 2.054 0.00 0.00 +0.111 A ATOM 36 C LIG 1 9.896 -0.536 1.652 0.00 0.00 +0.020 A ATOM 37 C LIG 1 9.937 0.352 0.582 0.00 0.00 +0.004 A ATOM 38 C LIG 1 8.752 0.714 -0.050 0.00 0.00 +0.033 A ENDBRANCH 31 33 ENDBRANCH 26 29 ENDBRANCH 2 23 TORSDOF 6