REMARK Name = BDB000762 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.472 0.045 -0.687 0.00 0.00 -0.281 N ATOM 2 H LIG 1 -0.708 0.648 0.092 0.00 0.00 +0.155 HD ENDROOT BRANCH 1 9 ATOM 3 C LIG 1 -6.390 -0.201 -1.365 0.00 0.00 +0.161 C ATOM 4 N LIG 1 -5.105 0.393 -0.963 0.00 0.00 -0.299 N ATOM 5 C LIG 1 -3.933 -0.148 -1.490 0.00 0.00 +0.149 A ATOM 6 C LIG 1 -3.967 -0.967 -2.614 0.00 0.00 +0.095 A ATOM 7 C LIG 1 -2.735 -1.424 -3.041 0.00 0.00 +0.141 A ATOM 8 N LIG 1 -1.564 -1.129 -2.446 0.00 0.00 -0.221 NA ATOM 9 C LIG 1 -1.615 -0.329 -1.379 0.00 0.00 +0.221 A ATOM 10 N LIG 1 -5.186 -1.272 -3.281 0.00 0.00 -0.269 N ATOM 11 C LIG 1 -5.166 -1.996 -4.541 0.00 0.00 +0.138 C ATOM 12 N LIG 1 -2.762 0.168 -0.894 0.00 0.00 -0.197 NA ATOM 13 C LIG 1 -6.401 -0.840 -2.766 0.00 0.00 +0.240 C ATOM 14 O LIG 1 -7.472 -1.020 -3.354 0.00 0.00 -0.273 OA BRANCH 4 15 ATOM 15 C LIG 1 -4.977 1.383 0.113 0.00 0.00 +0.076 C ATOM 16 C LIG 1 -6.221 2.235 0.383 0.00 0.00 +0.022 C ATOM 17 C LIG 1 -5.961 2.778 1.779 0.00 0.00 +0.002 C ATOM 18 C LIG 1 -5.425 1.563 2.520 0.00 0.00 +0.002 C ATOM 19 C LIG 1 -4.624 0.775 1.481 0.00 0.00 +0.022 C ENDBRANCH 4 15 BRANCH 3 21 ATOM 20 C LIG 1 -6.097 -2.474 -0.155 0.00 0.00 +0.006 C ATOM 21 C LIG 1 -6.928 -1.208 -0.332 0.00 0.00 +0.028 C ENDBRANCH 3 21 ENDBRANCH 1 9 BRANCH 1 22 ATOM 22 C LIG 1 0.900 -0.217 -0.819 0.00 0.00 +0.076 A ATOM 23 C LIG 1 1.786 0.362 0.125 0.00 0.00 +0.142 A ATOM 24 C LIG 1 3.164 0.132 0.045 0.00 0.00 +0.060 A ATOM 25 C LIG 1 3.677 -0.687 -0.969 0.00 0.00 +0.040 A ATOM 26 C LIG 1 2.814 -1.245 -1.914 0.00 0.00 +0.015 A ATOM 27 C LIG 1 1.438 -1.014 -1.834 0.00 0.00 +0.028 A BRANCH 25 28 ATOM 28 C LIG 1 5.135 -0.960 -1.096 0.00 0.00 +0.244 C ATOM 29 N LIG 1 5.848 -1.019 0.080 0.00 0.00 -0.308 N ATOM 30 H LIG 1 5.400 -0.806 0.962 0.00 0.00 +0.149 HD ATOM 31 O LIG 1 5.634 -1.127 -2.203 0.00 0.00 -0.270 OA BRANCH 29 32 ATOM 32 C LIG 1 7.307 -1.064 0.108 0.00 0.00 +0.076 C ATOM 33 C LIG 1 7.887 0.342 -0.051 0.00 0.00 +0.037 C ATOM 34 C LIG 1 7.513 1.250 1.131 0.00 0.00 +0.086 C ATOM 35 N LIG 1 7.235 0.512 2.378 0.00 0.00 -0.305 NA ATOM 36 C LIG 1 7.348 1.397 3.536 0.00 0.00 +0.104 C ATOM 37 C LIG 1 8.114 -0.652 2.506 0.00 0.00 +0.086 C ATOM 38 C LIG 1 7.799 -1.692 1.422 0.00 0.00 +0.037 C ENDBRANCH 29 32 ENDBRANCH 25 28 BRANCH 23 39 ATOM 39 O LIG 1 1.178 1.145 1.083 0.00 0.00 -0.493 OA ATOM 40 C LIG 1 2.015 1.742 2.066 0.00 0.00 +0.277 C ENDBRANCH 23 39 ENDBRANCH 1 22 TORSDOF 7