REMARK Name = BDB037781 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.290 1.791 -1.660 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -0.851 0.831 -0.806 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.721 -0.540 -0.972 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -1.606 -1.122 -0.021 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.174 -0.162 0.731 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 0.109 -1.098 -2.097 0.00 0.00 +0.057 C ATOM 7 C LIG 1 1.236 -0.080 -2.409 0.00 0.00 +0.167 C ATOM 8 N LIG 1 -1.633 0.996 0.312 0.00 0.00 -0.246 N ATOM 9 C LIG 1 0.624 1.322 -2.637 0.00 0.00 +0.242 C ATOM 10 O LIG 1 0.988 2.024 -3.584 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -1.940 -2.539 0.208 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -3.286 -2.871 0.248 0.00 0.00 -0.277 N ATOM 13 C LIG 1 -4.414 -2.007 0.049 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -5.656 -2.784 0.403 0.00 0.00 +0.014 C ATOM 15 C LIG 1 -5.213 -4.151 0.864 0.00 0.00 +0.043 C ATOM 16 C LIG 1 -5.290 -1.546 1.175 0.00 0.00 +0.028 C ATOM 17 C LIG 1 -3.723 -4.259 0.456 0.00 0.00 +0.180 C ATOM 18 O LIG 1 -1.074 -3.399 0.366 0.00 0.00 -0.268 OA BRANCH 17 19 ATOM 19 C LIG 1 -3.580 -5.054 -0.783 0.00 0.00 +0.085 C ATOM 20 N LIG 1 -3.494 -5.674 -1.761 0.00 0.00 -0.195 NA ENDBRANCH 17 19 ENDBRANCH 4 11 BRANCH 8 21 ATOM 21 C LIG 1 -1.830 2.172 1.153 0.00 0.00 +0.114 C ATOM 22 C LIG 1 -1.627 1.882 2.651 0.00 0.00 +0.055 C ATOM 23 C LIG 1 -1.882 3.144 3.460 0.00 0.00 +0.162 C ATOM 24 O LIG 1 -3.189 3.651 3.200 0.00 0.00 -0.380 OA ATOM 25 C LIG 1 -3.381 4.011 1.835 0.00 0.00 +0.162 C ATOM 26 C LIG 1 -3.207 2.804 0.927 0.00 0.00 +0.055 C ENDBRANCH 8 21 BRANCH 7 27 ATOM 27 N LIG 1 2.237 0.065 -1.344 0.00 0.00 -0.299 N ATOM 28 H LIG 1 1.900 0.141 -0.395 0.00 0.00 +0.150 HD ATOM 29 C LIG 1 3.581 0.175 -1.615 0.00 0.00 +0.245 C ATOM 30 O LIG 1 4.063 0.040 -2.733 0.00 0.00 -0.270 OA BRANCH 29 31 ATOM 31 C LIG 1 4.468 0.425 -0.447 0.00 0.00 +0.037 A ATOM 32 C LIG 1 5.767 -0.101 -0.483 0.00 0.00 +0.019 A ATOM 33 C LIG 1 6.598 0.123 0.602 0.00 0.00 -0.016 A ATOM 34 C LIG 1 8.004 -0.301 0.813 0.00 0.00 +0.195 C ATOM 35 O LIG 1 8.282 0.040 2.192 0.00 0.00 -0.371 OA ATOM 36 C LIG 1 7.279 0.962 2.678 0.00 0.00 +0.195 C ATOM 37 C LIG 1 6.171 0.863 1.694 0.00 0.00 -0.017 A ATOM 38 C LIG 1 4.901 1.411 1.741 0.00 0.00 +0.007 A ATOM 39 C LIG 1 4.042 1.189 0.659 0.00 0.00 +0.013 A ENDBRANCH 29 31 ENDBRANCH 7 27 BRANCH 6 40 ATOM 40 C LIG 1 0.529 -2.549 -1.998 0.00 0.00 -0.001 C ATOM 41 C LIG 1 1.598 -3.059 -1.060 0.00 0.00 +0.004 C ATOM 42 C LIG 1 1.833 -3.087 -2.545 0.00 0.00 +0.004 C ENDBRANCH 6 40 BRANCH 1 44 ATOM 43 C LIG 1 -2.012 3.121 -2.843 0.00 0.00 +0.025 C ATOM 44 C LIG 1 -0.824 3.134 -1.889 0.00 0.00 +0.112 C ENDBRANCH 1 44 TORSDOF 7