REMARK Name = BDB033759 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.443 -1.745 0.273 0.00 0.00 +0.093 A ATOM 2 C LIG 1 -1.930 -3.037 0.304 0.00 0.00 +0.096 A ATOM 3 C LIG 1 -0.982 -4.028 0.192 0.00 0.00 +0.135 A ATOM 4 N LIG 1 0.341 -3.794 0.063 0.00 0.00 -0.221 NA ATOM 5 C LIG 1 0.741 -2.514 0.048 0.00 0.00 +0.220 A ATOM 6 N LIG 1 -0.114 -1.489 0.158 0.00 0.00 -0.213 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 -4.213 0.822 -0.325 0.00 0.00 +0.027 A ATOM 8 C LIG 1 -3.400 -0.319 -0.439 0.00 0.00 +0.033 A ATOM 9 C LIG 1 -2.276 -0.532 0.382 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -1.941 0.473 1.303 0.00 0.00 +0.010 A ATOM 11 C LIG 1 -2.705 1.634 1.401 0.00 0.00 +0.002 A ATOM 12 C LIG 1 -3.824 1.808 0.585 0.00 0.00 +0.023 A BRANCH 7 14 ATOM 13 C LIG 1 -6.315 1.948 -0.946 0.00 0.00 +0.125 C ATOM 14 N LIG 1 -5.279 0.968 -1.221 0.00 0.00 -0.347 N ATOM 15 H LIG 1 -5.662 0.067 -1.498 0.00 0.00 +0.146 HD ENDBRANCH 7 14 ENDBRANCH 1 9 BRANCH 2 16 ATOM 16 C LIG 1 -3.302 -3.378 0.469 0.00 0.00 +0.103 C ATOM 17 N LIG 1 -4.415 -3.687 0.588 0.00 0.00 -0.191 NA ENDBRANCH 2 16 BRANCH 5 18 ATOM 18 N LIG 1 2.112 -2.323 -0.070 0.00 0.00 -0.284 N ATOM 19 H LIG 1 2.566 -3.223 -0.136 0.00 0.00 +0.155 HD BRANCH 18 20 ATOM 20 C LIG 1 2.926 -1.192 -0.204 0.00 0.00 +0.034 A ATOM 21 C LIG 1 4.321 -1.371 -0.214 0.00 0.00 +0.025 A ATOM 22 C LIG 1 5.197 -0.286 -0.321 0.00 0.00 +0.030 A ATOM 23 C LIG 1 4.680 1.005 -0.405 0.00 0.00 +0.105 A ATOM 24 C LIG 1 3.301 1.212 -0.403 0.00 0.00 +0.030 A ATOM 25 C LIG 1 2.436 0.117 -0.295 0.00 0.00 +0.025 A BRANCH 23 26 ATOM 26 S LIG 1 5.774 2.383 -0.572 0.00 0.00 +0.056 S ATOM 27 O LIG 1 7.066 1.915 -1.016 0.00 0.00 -0.153 OA ATOM 28 O LIG 1 5.079 3.470 -1.220 0.00 0.00 -0.153 OA BRANCH 26 29 ATOM 29 N LIG 1 5.983 2.856 1.026 0.00 0.00 -0.204 NA ATOM 30 H LIG 1 6.962 2.753 1.291 0.00 0.00 +0.144 HD ATOM 31 H LIG 1 5.615 3.799 1.157 0.00 0.00 +0.144 HD ENDBRANCH 26 29 ENDBRANCH 23 26 ENDBRANCH 18 20 ENDBRANCH 5 18 TORSDOF 7