REMARK Name = BDB048342 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.979 -0.014 2.160 0.00 0.00 -0.318 N ATOM 2 C LIG 1 -1.401 -1.391 2.446 0.00 0.00 +0.130 C ENDROOT BRANCH 1 5 ATOM 3 C LIG 1 -1.209 2.284 3.908 0.00 0.00 +0.049 C ATOM 4 C LIG 1 -2.252 1.902 2.909 0.00 0.00 +0.008 A ATOM 5 C LIG 1 -2.135 0.805 2.066 0.00 0.00 +0.128 A ATOM 6 N LIG 1 -3.084 0.489 1.164 0.00 0.00 -0.212 NA ATOM 7 C LIG 1 -4.170 1.283 1.091 0.00 0.00 +0.162 A ATOM 8 N LIG 1 -4.364 2.373 1.855 0.00 0.00 -0.235 NA ATOM 9 C LIG 1 -3.394 2.657 2.743 0.00 0.00 +0.120 A BRANCH 7 10 ATOM 10 C LIG 1 -5.215 0.930 0.107 0.00 0.00 +0.019 A ATOM 11 C LIG 1 -5.058 -0.151 -0.780 0.00 0.00 +0.012 A ATOM 12 C LIG 1 -6.048 -0.490 -1.711 0.00 0.00 +0.004 A ATOM 13 C LIG 1 -7.237 0.243 -1.790 0.00 0.00 -0.045 A ATOM 14 C LIG 1 -7.410 1.321 -0.914 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -6.416 1.657 0.014 0.00 0.00 +0.012 A BRANCH 13 16 ATOM 16 C LIG 1 -8.332 -0.110 -2.781 0.00 0.00 +0.013 C ATOM 17 C LIG 1 -7.836 -0.037 -4.229 0.00 0.00 +0.012 C ATOM 18 C LIG 1 -8.931 -1.486 -2.480 0.00 0.00 +0.012 C ENDBRANCH 13 16 ENDBRANCH 7 10 ENDBRANCH 1 5 BRANCH 1 19 ATOM 19 C LIG 1 -0.164 0.112 0.937 0.00 0.00 +0.109 C BRANCH 19 20 ATOM 20 C LIG 1 1.202 0.709 1.272 0.00 0.00 +0.060 C BRANCH 20 21 ATOM 21 C LIG 1 2.014 -0.178 2.213 0.00 0.00 +0.230 C BRANCH 21 22 ATOM 22 O LIG 1 3.319 0.369 2.422 0.00 0.00 -0.492 OA BRANCH 22 23 ATOM 23 C LIG 1 4.332 -0.016 1.587 0.00 0.00 +0.121 A ATOM 24 C LIG 1 4.194 -0.754 0.410 0.00 0.00 +0.049 A ATOM 25 C LIG 1 5.333 -1.042 -0.332 0.00 0.00 -0.040 A ATOM 26 C LIG 1 5.416 -1.848 -1.591 0.00 0.00 +0.036 C ATOM 27 C LIG 1 6.789 -1.417 -2.121 0.00 0.00 +0.013 C ATOM 28 C LIG 1 7.661 -1.103 -0.881 0.00 0.00 +0.030 C ATOM 29 C LIG 1 6.603 -0.618 0.079 0.00 0.00 -0.040 A ATOM 30 C LIG 1 6.753 0.102 1.253 0.00 0.00 +0.008 A ATOM 31 C LIG 1 5.609 0.409 1.996 0.00 0.00 +0.046 A BRANCH 28 32 ATOM 32 C LIG 1 8.760 -0.080 -1.168 0.00 0.00 +0.128 C BRANCH 32 33 ATOM 33 C LIG 1 9.822 -0.626 -2.092 0.00 0.00 +0.305 C ATOM 34 O LIG 1 9.900 -1.781 -2.480 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 10.723 0.318 -2.452 0.00 0.00 -0.481 OA ATOM 36 H LIG 1 10.551 1.198 -2.066 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 28 32 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 11