REMARK Name = BDB038710 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.737 -1.335 0.921 0.00 0.00 -0.012 A ATOM 2 C LIG 1 2.401 -0.977 0.711 0.00 0.00 +0.052 A ATOM 3 C LIG 1 1.649 -1.646 -0.244 0.00 0.00 +0.129 A ATOM 4 N LIG 1 2.174 -2.652 -0.981 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 3.464 -3.023 -0.790 0.00 0.00 +0.047 A ATOM 6 C LIG 1 4.254 -2.389 0.163 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 0.307 -1.316 -0.506 0.00 0.00 -0.248 N ATOM 8 C LIG 1 -0.456 -0.315 0.080 0.00 0.00 +0.253 C ATOM 9 O LIG 1 -0.170 0.502 0.937 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -1.785 -0.383 -0.544 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -1.779 -1.412 -1.476 0.00 0.00 -0.018 A ATOM 12 C LIG 1 -2.916 -1.691 -2.209 0.00 0.00 +0.006 A ATOM 13 C LIG 1 -4.061 -0.910 -1.988 0.00 0.00 +0.006 A ATOM 14 C LIG 1 -4.080 0.150 -1.045 0.00 0.00 -0.027 A ATOM 15 C LIG 1 -2.901 0.399 -0.306 0.00 0.00 +0.018 A ATOM 16 C LIG 1 -0.439 -2.068 -1.501 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 -5.336 1.030 -0.785 0.00 0.00 +0.039 C ATOM 18 C LIG 1 -4.951 2.475 -1.181 0.00 0.00 +0.032 C ATOM 19 C LIG 1 -6.545 0.611 -1.650 0.00 0.00 +0.032 C BRANCH 17 20 ATOM 20 N LIG 1 -5.629 0.937 0.666 0.00 0.00 -0.307 NA ATOM 21 H LIG 1 -5.474 -0.036 0.937 0.00 0.00 +0.123 HD BRANCH 20 22 ATOM 22 C LIG 1 -6.951 1.311 1.177 0.00 0.00 +0.089 C BRANCH 22 23 ATOM 23 C LIG 1 -7.230 2.801 1.156 0.00 0.00 +0.054 C ATOM 24 C LIG 1 -6.324 3.712 1.995 0.00 0.00 +0.166 C ATOM 25 O LIG 1 -7.478 4.338 2.616 0.00 0.00 -0.379 OA ATOM 26 C LIG 1 -8.331 3.279 2.114 0.00 0.00 +0.166 C ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 17 20 ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 28 ATOM 27 C LIG 1 5.778 0.039 1.551 0.00 0.00 +0.028 A ATOM 28 C LIG 1 4.574 -0.619 1.904 0.00 0.00 -0.007 A ATOM 29 C LIG 1 4.177 -0.596 3.255 0.00 0.00 +0.010 A ATOM 30 C LIG 1 4.952 0.039 4.231 0.00 0.00 +0.019 A ATOM 31 C LIG 1 6.148 0.664 3.877 0.00 0.00 +0.052 A ATOM 32 C LIG 1 6.560 0.659 2.541 0.00 0.00 +0.031 A BRANCH 27 35 ATOM 33 C LIG 1 4.700 1.857 -0.733 0.00 0.00 +0.152 C ATOM 34 N LIG 1 5.752 0.880 -0.830 0.00 0.00 -0.317 N ATOM 35 C LIG 1 6.260 0.092 0.173 0.00 0.00 +0.164 A ATOM 36 N LIG 1 7.263 -0.609 -0.322 0.00 0.00 -0.129 NA ATOM 37 N LIG 1 7.389 -0.303 -1.657 0.00 0.00 -0.138 NA ATOM 38 C LIG 1 6.473 0.591 -1.947 0.00 0.00 +0.225 A ENDBRANCH 27 35 BRANCH 31 39 ATOM 39 C LIG 1 6.947 1.308 4.877 0.00 0.00 +0.099 C ATOM 40 N LIG 1 7.584 1.837 5.690 0.00 0.00 -0.191 NA ENDBRANCH 31 39 ENDBRANCH 1 28 BRANCH 5 41 ATOM 41 C LIG 1 4.022 -4.145 -1.633 0.00 0.00 +0.038 C ATOM 42 C LIG 1 3.880 -4.094 -3.138 0.00 0.00 +0.010 C ATOM 43 C LIG 1 5.230 -3.907 -2.513 0.00 0.00 +0.010 C ENDBRANCH 5 41 TORSDOF 9