REMARK Name = BDB038670 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.160 -1.253 0.089 0.00 0.00 -0.012 A ATOM 2 C LIG 1 1.858 -1.095 -0.399 0.00 0.00 +0.052 A ATOM 3 C LIG 1 0.810 -0.834 0.473 0.00 0.00 +0.129 A ATOM 4 N LIG 1 1.021 -0.787 1.801 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 2.256 -0.979 2.321 0.00 0.00 +0.047 A ATOM 6 C LIG 1 3.341 -1.203 1.475 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.486 -0.582 -0.022 0.00 0.00 -0.248 N ATOM 8 C LIG 1 -1.606 -0.333 0.769 0.00 0.00 +0.253 C ATOM 9 O LIG 1 -1.766 -0.312 1.975 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -2.717 -0.063 -0.153 0.00 0.00 +0.045 A ATOM 11 C LIG 1 -2.239 -0.144 -1.456 0.00 0.00 -0.017 A ATOM 12 C LIG 1 -3.088 0.077 -2.523 0.00 0.00 +0.009 A ATOM 13 C LIG 1 -4.427 0.378 -2.243 0.00 0.00 +0.046 A ATOM 14 C LIG 1 -4.904 0.457 -0.917 0.00 0.00 +0.121 A ATOM 15 C LIG 1 -4.036 0.233 0.150 0.00 0.00 +0.059 A ATOM 16 C LIG 1 -0.786 -0.477 -1.441 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 O LIG 1 -6.236 0.759 -0.814 0.00 0.00 -0.489 OA BRANCH 17 18 ATOM 18 C LIG 1 -6.772 0.881 0.511 0.00 0.00 +0.262 C BRANCH 18 19 ATOM 19 C LIG 1 -8.254 1.236 0.372 0.00 0.00 +0.177 C BRANCH 19 20 ATOM 20 O LIG 1 -8.954 0.169 -0.295 0.00 0.00 -0.386 OA ATOM 21 H LIG 1 -8.431 -0.028 -1.097 0.00 0.00 +0.210 HD ENDBRANCH 19 20 BRANCH 19 22 ATOM 22 C LIG 1 -8.912 1.448 1.733 0.00 0.00 +0.190 C BRANCH 22 23 ATOM 23 O LIG 1 -10.293 1.759 1.547 0.00 0.00 -0.392 OA ATOM 24 H LIG 1 -10.612 1.103 0.894 0.00 0.00 +0.210 HD ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 26 ATOM 25 C LIG 1 4.576 -0.565 -1.910 0.00 0.00 +0.028 A ATOM 26 C LIG 1 4.306 -1.441 -0.827 0.00 0.00 -0.007 A ATOM 27 C LIG 1 5.165 -2.542 -0.638 0.00 0.00 +0.010 A ATOM 28 C LIG 1 6.247 -2.777 -1.493 0.00 0.00 +0.019 A ATOM 29 C LIG 1 6.492 -1.920 -2.565 0.00 0.00 +0.052 A ATOM 30 C LIG 1 5.656 -0.821 -2.774 0.00 0.00 +0.031 A BRANCH 25 33 ATOM 31 C LIG 1 4.426 2.114 -0.292 0.00 0.00 +0.152 C ATOM 32 N LIG 1 3.668 1.755 -1.460 0.00 0.00 -0.317 N ATOM 33 C LIG 1 3.741 0.600 -2.199 0.00 0.00 +0.164 A ATOM 34 N LIG 1 2.891 0.700 -3.205 0.00 0.00 -0.129 NA ATOM 35 N LIG 1 2.236 1.904 -3.102 0.00 0.00 -0.138 NA ATOM 36 C LIG 1 2.717 2.528 -2.053 0.00 0.00 +0.225 A ENDBRANCH 25 33 BRANCH 29 37 ATOM 37 C LIG 1 7.596 -2.165 -3.447 0.00 0.00 +0.099 C ATOM 38 N LIG 1 8.496 -2.361 -4.152 0.00 0.00 -0.191 NA ENDBRANCH 29 37 ENDBRANCH 1 26 BRANCH 5 39 ATOM 39 C LIG 1 2.371 -0.914 3.831 0.00 0.00 +0.038 C ATOM 40 C LIG 1 3.340 -1.780 4.599 0.00 0.00 +0.010 C ATOM 41 C LIG 1 3.566 -0.296 4.517 0.00 0.00 +0.010 C ENDBRANCH 5 39 TORSDOF 11