REMARK Name = BDB003763 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.293 2.458 1.556 0.00 0.00 -0.284 N ATOM 2 H LIG 1 -2.484 3.238 2.168 0.00 0.00 +0.155 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -3.462 2.114 0.887 0.00 0.00 +0.221 A ATOM 4 N LIG 1 -3.505 1.137 -0.025 0.00 0.00 -0.195 NA ATOM 5 C LIG 1 -4.676 0.849 -0.653 0.00 0.00 +0.163 A ATOM 6 N LIG 1 -4.660 -0.182 -1.628 0.00 0.00 -0.326 N ATOM 7 C LIG 1 -5.534 -1.279 -1.496 0.00 0.00 +0.056 A ATOM 8 C LIG 1 -6.920 -1.089 -1.454 0.00 0.00 +0.063 A ATOM 9 C LIG 1 -7.566 0.226 -1.670 0.00 0.00 +0.261 A ATOM 10 N LIG 1 -7.088 1.400 -1.076 0.00 0.00 -0.307 N ATOM 11 C LIG 1 -7.974 2.562 -1.149 0.00 0.00 +0.152 C ATOM 12 O LIG 1 -8.620 0.210 -2.314 0.00 0.00 -0.267 OA ATOM 13 C LIG 1 -7.790 -2.191 -1.308 0.00 0.00 +0.015 A ATOM 14 C LIG 1 -7.294 -3.485 -1.186 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -5.924 -3.691 -1.221 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -5.059 -2.603 -1.377 0.00 0.00 +0.026 A ATOM 17 C LIG 1 -3.312 -0.454 -2.139 0.00 0.00 +0.151 C ATOM 18 C LIG 1 -5.843 1.561 -0.385 0.00 0.00 +0.106 A ATOM 19 C LIG 1 -5.680 2.556 0.567 0.00 0.00 +0.144 A ATOM 20 N LIG 1 -4.531 2.846 1.209 0.00 0.00 -0.220 NA ENDBRANCH 1 3 BRANCH 1 24 ATOM 21 C LIG 1 1.674 0.978 1.729 0.00 0.00 -0.039 A ATOM 22 C LIG 1 1.307 2.161 2.376 0.00 0.00 +0.006 A ATOM 23 C LIG 1 -0.011 2.625 2.308 0.00 0.00 +0.023 A ATOM 24 C LIG 1 -1.001 1.927 1.599 0.00 0.00 +0.034 A ATOM 25 C LIG 1 -0.617 0.755 0.943 0.00 0.00 +0.023 A ATOM 26 C LIG 1 0.701 0.283 1.004 0.00 0.00 +0.006 A BRANCH 21 27 ATOM 27 C LIG 1 3.096 0.471 1.796 0.00 0.00 +0.131 C BRANCH 27 32 ATOM 28 N LIG 1 7.902 -0.827 -0.004 0.00 0.00 -0.300 NA ATOM 29 C LIG 1 7.245 -0.877 1.317 0.00 0.00 +0.103 C ATOM 30 C LIG 1 5.709 -0.741 1.308 0.00 0.00 +0.123 C ATOM 31 N LIG 1 5.248 0.433 0.563 0.00 0.00 -0.299 N ATOM 32 C LIG 1 4.037 1.087 0.765 0.00 0.00 +0.220 C ATOM 33 O LIG 1 3.758 2.117 0.151 0.00 0.00 -0.275 OA ATOM 34 C LIG 1 6.161 0.937 -0.466 0.00 0.00 +0.123 C ATOM 35 C LIG 1 7.052 -0.183 -1.027 0.00 0.00 +0.103 C BRANCH 28 37 ATOM 36 C LIG 1 9.615 -2.601 0.294 0.00 0.00 +0.020 C ATOM 37 C LIG 1 8.385 -2.130 -0.474 0.00 0.00 +0.081 C ENDBRANCH 28 37 ENDBRANCH 27 32 ENDBRANCH 21 27 ENDBRANCH 1 24 TORSDOF 5