REMARK Name = BDB043031 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.573 0.842 1.629 0.00 0.00 +0.126 A ATOM 2 N LIG 1 0.845 2.001 0.847 0.00 0.00 -0.200 N ATOM 3 C LIG 1 0.048 2.316 -0.266 0.00 0.00 +0.163 A ATOM 4 C LIG 1 0.556 3.477 -0.815 0.00 0.00 +0.019 A ATOM 5 C LIG 1 1.638 3.808 0.021 0.00 0.00 +0.141 A ATOM 6 N LIG 1 -1.015 1.549 -0.648 0.00 0.00 -0.213 NA ATOM 7 C LIG 1 -1.288 0.491 0.074 0.00 0.00 +0.124 A ATOM 8 N LIG 1 1.827 2.939 1.010 0.00 0.00 -0.171 NA ATOM 9 C LIG 1 -0.482 0.086 1.268 0.00 0.00 +0.087 A ENDROOT BRANCH 4 10 ATOM 10 C LIG 1 0.054 4.209 -2.023 0.00 0.00 +0.018 C ATOM 11 C LIG 1 1.110 4.260 -3.129 0.00 0.00 +0.012 C ATOM 12 C LIG 1 -0.424 5.619 -1.672 0.00 0.00 +0.012 C ENDBRANCH 4 10 BRANCH 1 13 ATOM 13 N LIG 1 1.355 0.491 2.746 0.00 0.00 -0.323 N ATOM 14 H LIG 1 1.162 -0.465 3.043 0.00 0.00 +0.148 HD BRANCH 13 15 ATOM 15 C LIG 1 2.803 0.707 2.844 0.00 0.00 +0.160 C BRANCH 15 25 ATOM 16 C LIG 1 4.911 1.403 0.368 0.00 0.00 +0.066 C ATOM 17 C LIG 1 4.501 0.100 0.946 0.00 0.00 +0.045 A ATOM 18 N LIG 1 4.944 -1.120 0.474 0.00 0.00 -0.304 N ATOM 19 C LIG 1 4.341 -2.099 1.259 0.00 0.00 +0.138 A ATOM 20 C LIG 1 4.655 -3.457 0.968 0.00 0.00 +0.047 A ATOM 21 C LIG 1 5.502 -3.748 -0.039 0.00 0.00 +0.005 A ATOM 22 C LIG 1 6.110 -2.702 -0.845 0.00 0.00 +0.018 A ATOM 23 N LIG 1 3.549 -1.573 2.167 0.00 0.00 -0.231 NA ATOM 24 C LIG 1 5.819 -1.419 -0.573 0.00 0.00 +0.093 A ATOM 25 C LIG 1 3.633 -0.205 1.984 0.00 0.00 +0.080 A ENDBRANCH 15 25 ENDBRANCH 13 15 ENDBRANCH 1 13 BRANCH 7 26 ATOM 26 N LIG 1 -2.378 -0.233 -0.351 0.00 0.00 -0.329 N ATOM 27 H LIG 1 -2.874 0.297 -1.064 0.00 0.00 +0.147 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.251 -0.988 0.534 0.00 0.00 +0.109 C BRANCH 28 29 ATOM 29 C LIG 1 -4.386 -1.653 -0.262 0.00 0.00 +0.037 C ATOM 30 C LIG 1 -5.352 -2.386 0.686 0.00 0.00 +0.133 C ATOM 31 C LIG 1 -6.429 -3.141 -0.115 0.00 0.00 +0.112 C ATOM 32 N LIG 1 -5.867 -4.068 -1.098 0.00 0.00 -0.314 NA ATOM 33 H LIG 1 -5.328 -4.790 -0.620 0.00 0.00 +0.122 HD ATOM 34 C LIG 1 -4.992 -3.361 -2.034 0.00 0.00 +0.081 C ATOM 35 C LIG 1 -3.852 -2.639 -1.316 0.00 0.00 +0.023 C BRANCH 30 36 ATOM 36 O LIG 1 -5.960 -1.440 1.562 0.00 0.00 -0.390 OA ATOM 37 H LIG 1 -6.624 -1.911 2.096 0.00 0.00 +0.210 HD ENDBRANCH 30 36 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 7 26 TORSDOF 8