REMARK Name = BDB038706 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.627 0.780 0.252 0.00 0.00 -0.012 A ATOM 2 C LIG 1 2.259 0.485 0.268 0.00 0.00 +0.052 A ATOM 3 C LIG 1 1.498 0.693 -0.874 0.00 0.00 +0.129 A ATOM 4 N LIG 1 2.054 1.162 -2.018 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 3.370 1.476 -2.050 0.00 0.00 +0.047 A ATOM 6 C LIG 1 4.170 1.305 -0.924 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 0.118 0.428 -0.914 0.00 0.00 -0.248 N ATOM 8 C LIG 1 -0.708 0.047 0.135 0.00 0.00 +0.253 C ATOM 9 O LIG 1 -0.464 -0.127 1.314 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -2.055 -0.112 -0.428 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -2.004 0.199 -1.784 0.00 0.00 -0.018 A ATOM 12 C LIG 1 -3.147 0.135 -2.560 0.00 0.00 +0.006 A ATOM 13 C LIG 1 -4.343 -0.253 -1.944 0.00 0.00 +0.005 A ATOM 14 C LIG 1 -4.394 -0.571 -0.566 0.00 0.00 -0.033 A ATOM 15 C LIG 1 -3.223 -0.494 0.204 0.00 0.00 +0.018 A ATOM 16 C LIG 1 -0.612 0.578 -2.163 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 -5.700 -0.988 0.080 0.00 0.00 +0.120 C BRANCH 17 18 ATOM 18 N LIG 1 -6.147 -0.024 1.082 0.00 0.00 -0.291 NA ATOM 19 C LIG 1 -7.277 -0.498 1.922 0.00 0.00 +0.085 C ATOM 20 C LIG 1 -8.586 -0.696 1.132 0.00 0.00 +0.179 C ATOM 21 O LIG 1 -8.972 0.651 0.749 0.00 0.00 -0.374 OA ATOM 22 C LIG 1 -7.928 1.489 1.322 0.00 0.00 +0.134 C ATOM 23 C LIG 1 -7.616 0.799 2.634 0.00 0.00 +0.054 C ATOM 24 C LIG 1 -6.649 1.248 0.500 0.00 0.00 +0.116 C ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 26 ATOM 25 C LIG 1 4.703 -0.713 2.009 0.00 0.00 +0.028 A ATOM 26 C LIG 1 4.472 0.563 1.440 0.00 0.00 -0.007 A ATOM 27 C LIG 1 5.062 1.685 2.058 0.00 0.00 +0.010 A ATOM 28 C LIG 1 5.844 1.558 3.209 0.00 0.00 +0.019 A ATOM 29 C LIG 1 6.050 0.302 3.776 0.00 0.00 +0.052 A ATOM 30 C LIG 1 5.478 -0.825 3.180 0.00 0.00 +0.031 A BRANCH 25 33 ATOM 31 C LIG 1 5.289 -2.046 -0.801 0.00 0.00 +0.152 C ATOM 32 N LIG 1 4.398 -2.503 0.229 0.00 0.00 -0.317 N ATOM 33 C LIG 1 4.149 -1.954 1.463 0.00 0.00 +0.164 A ATOM 34 N LIG 1 3.366 -2.788 2.126 0.00 0.00 -0.129 NA ATOM 35 N LIG 1 3.058 -3.848 1.309 0.00 0.00 -0.138 NA ATOM 36 C LIG 1 3.682 -3.661 0.172 0.00 0.00 +0.225 A ENDBRANCH 25 33 BRANCH 29 37 ATOM 37 C LIG 1 6.846 0.167 4.961 0.00 0.00 +0.099 C ATOM 38 N LIG 1 7.506 0.068 5.910 0.00 0.00 -0.191 NA ENDBRANCH 29 37 ENDBRANCH 1 26 BRANCH 5 39 ATOM 39 C LIG 1 3.946 2.028 -3.331 0.00 0.00 +0.038 C ATOM 40 C LIG 1 5.037 1.282 -4.065 0.00 0.00 +0.010 C ATOM 41 C LIG 1 3.655 1.335 -4.643 0.00 0.00 +0.010 C ENDBRANCH 5 39 TORSDOF 7