REMARK Name = BDB038732 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.243 0.004 -0.791 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -2.931 0.460 -0.966 0.00 0.00 +0.052 A ATOM 3 C LIG 1 -1.871 -0.436 -0.941 0.00 0.00 +0.129 A ATOM 4 N LIG 1 -2.093 -1.756 -0.799 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 -3.349 -2.244 -0.667 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -4.436 -1.373 -0.653 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.542 0.028 -1.033 0.00 0.00 -0.248 N ATOM 8 C LIG 1 0.588 -0.788 -1.040 0.00 0.00 +0.253 C ATOM 9 O LIG 1 0.720 -1.998 -1.011 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.750 0.111 -1.096 0.00 0.00 +0.042 A ATOM 11 C LIG 1 1.294 1.424 -1.107 0.00 0.00 -0.018 A ATOM 12 C LIG 1 2.190 2.476 -1.147 0.00 0.00 +0.006 A ATOM 13 C LIG 1 3.557 2.176 -1.182 0.00 0.00 +0.005 A ATOM 14 C LIG 1 4.022 0.838 -1.178 0.00 0.00 -0.033 A ATOM 15 C LIG 1 3.095 -0.213 -1.128 0.00 0.00 +0.018 A ATOM 16 C LIG 1 -0.195 1.440 -1.062 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 5.506 0.553 -1.204 0.00 0.00 +0.116 C BRANCH 17 18 ATOM 18 N LIG 1 6.123 0.944 0.060 0.00 0.00 -0.312 NA ATOM 19 H LIG 1 5.661 0.453 0.824 0.00 0.00 +0.122 HD BRANCH 18 20 ATOM 20 C LIG 1 7.566 0.712 0.090 0.00 0.00 +0.087 C BRANCH 20 21 ATOM 21 C LIG 1 7.970 -0.751 0.265 0.00 0.00 +0.031 C ATOM 22 C LIG 1 9.476 -0.929 0.380 0.00 0.00 +0.164 C ATOM 23 O LIG 1 9.690 -2.166 1.075 0.00 0.00 -0.379 OA ATOM 24 C LIG 1 8.453 -2.573 1.677 0.00 0.00 +0.160 C ATOM 25 C LIG 1 7.496 -1.406 1.548 0.00 0.00 +0.035 C ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 27 ATOM 26 C LIG 1 -5.414 2.053 0.158 0.00 0.00 +0.028 A ATOM 27 C LIG 1 -5.380 0.947 -0.730 0.00 0.00 -0.007 A ATOM 28 C LIG 1 -6.475 0.761 -1.597 0.00 0.00 +0.010 A ATOM 29 C LIG 1 -7.564 1.639 -1.593 0.00 0.00 +0.019 A ATOM 30 C LIG 1 -7.578 2.734 -0.729 0.00 0.00 +0.052 A ATOM 31 C LIG 1 -6.503 2.942 0.139 0.00 0.00 +0.031 A BRANCH 26 34 ATOM 32 C LIG 1 -4.653 0.441 2.741 0.00 0.00 +0.152 C ATOM 33 N LIG 1 -3.991 1.599 2.203 0.00 0.00 -0.317 N ATOM 34 C LIG 1 -4.327 2.336 1.094 0.00 0.00 +0.164 A ATOM 35 N LIG 1 -3.469 3.336 0.989 0.00 0.00 -0.129 NA ATOM 36 N LIG 1 -2.550 3.229 2.006 0.00 0.00 -0.138 NA ATOM 37 C LIG 1 -2.878 2.184 2.728 0.00 0.00 +0.225 A ENDBRANCH 26 34 BRANCH 30 38 ATOM 38 C LIG 1 -8.689 3.640 -0.732 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -9.596 4.364 -0.731 0.00 0.00 -0.191 NA ENDBRANCH 30 38 ENDBRANCH 1 27 BRANCH 5 40 ATOM 40 C LIG 1 -3.477 -3.747 -0.521 0.00 0.00 +0.038 C ATOM 41 C LIG 1 -4.674 -4.510 -1.033 0.00 0.00 +0.010 C ATOM 42 C LIG 1 -4.457 -4.368 0.446 0.00 0.00 +0.010 C ENDBRANCH 5 40 TORSDOF 9