REMARK Name = BDB004913 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.308 -2.074 1.948 0.00 0.00 -0.029 A ATOM 2 C LIG 1 0.979 -1.936 1.510 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -0.081 -1.950 2.418 0.00 0.00 +0.034 A ATOM 4 C LIG 1 0.197 -2.109 3.781 0.00 0.00 +0.023 A ATOM 5 C LIG 1 1.513 -2.233 4.230 0.00 0.00 +0.002 A ATOM 6 C LIG 1 2.565 -2.209 3.318 0.00 0.00 +0.005 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -1.437 -1.824 2.047 0.00 0.00 -0.281 N ATOM 8 H LIG 1 -2.103 -1.865 2.808 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 -1.936 -1.541 0.789 0.00 0.00 +0.248 C ATOM 10 O LIG 1 -1.294 -1.268 -0.217 0.00 0.00 -0.270 OA BRANCH 9 11 ATOM 11 C LIG 1 -3.419 -1.534 0.698 0.00 0.00 +0.042 A ATOM 12 C LIG 1 -4.033 -0.564 -0.098 0.00 0.00 +0.056 A ATOM 13 C LIG 1 -5.419 -0.534 -0.208 0.00 0.00 +0.122 A ATOM 14 N LIG 1 -6.167 -1.429 0.480 0.00 0.00 -0.240 NA ATOM 15 C LIG 1 -5.556 -2.376 1.224 0.00 0.00 +0.113 A ATOM 16 C LIG 1 -4.191 -2.477 1.364 0.00 0.00 +0.033 A BRANCH 13 17 ATOM 17 N LIG 1 -6.060 0.449 -0.968 0.00 0.00 -0.315 N ATOM 18 C LIG 1 -5.544 0.724 -2.309 0.00 0.00 +0.106 C ATOM 19 C LIG 1 -5.918 2.156 -2.704 0.00 0.00 +0.019 C ATOM 20 C LIG 1 -7.285 2.596 -2.172 0.00 0.00 +0.003 C ATOM 21 C LIG 1 -8.175 1.399 -1.870 0.00 0.00 +0.019 C ATOM 22 C LIG 1 -7.529 0.451 -0.852 0.00 0.00 +0.106 C ENDBRANCH 13 17 ENDBRANCH 9 11 ENDBRANCH 3 7 BRANCH 1 23 ATOM 23 C LIG 1 3.450 -2.027 0.958 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 N LIG 1 3.960 -0.662 0.908 0.00 0.00 -0.324 N ATOM 25 H LIG 1 3.207 -0.014 0.690 0.00 0.00 +0.148 HD BRANCH 24 29 ATOM 26 C LIG 1 7.154 2.278 -1.247 0.00 0.00 +0.063 A ATOM 27 C LIG 1 6.611 0.987 -1.074 0.00 0.00 +0.088 A ATOM 28 C LIG 1 5.562 0.842 -0.144 0.00 0.00 +0.041 A ATOM 29 C LIG 1 5.022 -0.453 0.002 0.00 0.00 +0.130 A ATOM 30 N LIG 1 5.503 -1.510 -0.670 0.00 0.00 -0.220 NA ATOM 31 C LIG 1 6.499 -1.272 -1.521 0.00 0.00 +0.223 A ATOM 32 C LIG 1 5.104 1.962 0.595 0.00 0.00 +0.013 A ATOM 33 C LIG 1 5.654 3.222 0.411 0.00 0.00 +0.002 A ATOM 34 N LIG 1 7.065 -0.085 -1.763 0.00 0.00 -0.235 NA ATOM 35 C LIG 1 6.674 3.381 -0.513 0.00 0.00 +0.015 A BRANCH 26 39 ATOM 36 N LIG 1 8.828 1.548 -2.894 0.00 0.00 -0.325 N ATOM 37 H LIG 1 9.549 1.747 -3.571 0.00 0.00 +0.145 HD ATOM 38 H LIG 1 8.467 0.602 -2.800 0.00 0.00 +0.145 HD ATOM 39 C LIG 1 8.263 2.580 -2.206 0.00 0.00 +0.244 C ATOM 40 O LIG 1 8.669 3.724 -2.380 0.00 0.00 -0.270 OA ENDBRANCH 26 39 ENDBRANCH 24 29 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 7