REMARK Name = BDB016835 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.132 -0.479 0.710 0.00 0.00 +0.138 A ATOM 2 N LIG 1 1.404 0.336 -0.172 0.00 0.00 -0.323 N ATOM 3 C LIG 1 0.098 0.149 0.166 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -1.257 0.590 -0.226 0.00 0.00 +0.161 C ATOM 5 N LIG 1 -2.074 -0.063 0.861 0.00 0.00 -0.252 N ATOM 6 C LIG 1 -1.257 -0.861 1.726 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -1.580 -1.538 2.688 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 0.088 -0.673 1.246 0.00 0.00 +0.150 A ATOM 9 N LIG 1 1.332 -1.062 1.597 0.00 0.00 -0.223 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.450 0.120 1.021 0.00 0.00 +0.055 A ATOM 11 C LIG 1 -4.201 -0.617 1.865 0.00 0.00 +0.118 A ATOM 12 N LIG 1 -5.570 -0.395 1.965 0.00 0.00 -0.285 N ATOM 13 C LIG 1 -6.247 0.564 1.236 0.00 0.00 +0.164 A ATOM 14 N LIG 1 -7.525 0.529 1.541 0.00 0.00 -0.129 NA ATOM 15 N LIG 1 -7.708 -0.459 2.480 0.00 0.00 -0.134 NA ATOM 16 C LIG 1 -5.494 1.385 0.341 0.00 0.00 -0.004 A ATOM 17 C LIG 1 -6.138 2.474 -0.478 0.00 0.00 +0.047 C ATOM 18 C LIG 1 -6.537 -1.009 2.733 0.00 0.00 +0.135 A ATOM 19 C LIG 1 -6.268 -2.111 3.684 0.00 0.00 +0.088 C ATOM 20 C LIG 1 -4.159 1.161 0.258 0.00 0.00 +0.032 A ENDBRANCH 5 10 BRANCH 1 26 ATOM 21 C LIG 1 8.525 0.097 1.544 0.00 0.00 +0.109 C ATOM 22 C LIG 1 7.764 -0.711 0.522 0.00 0.00 +0.213 C ATOM 23 N LIG 1 6.391 -0.829 0.702 0.00 0.00 -0.298 N ATOM 24 C LIG 1 5.656 -1.741 -0.169 0.00 0.00 +0.113 C ATOM 25 C LIG 1 4.307 -1.147 -0.565 0.00 0.00 +0.057 C ATOM 26 C LIG 1 3.554 -0.601 0.629 0.00 0.00 -0.006 C ATOM 27 C LIG 1 4.237 -0.317 1.757 0.00 0.00 -0.001 C ATOM 28 C LIG 1 5.720 -0.435 1.936 0.00 0.00 +0.135 C ATOM 29 O LIG 1 8.359 -1.215 -0.431 0.00 0.00 -0.276 OA ENDBRANCH 1 26 BRANCH 4 30 ATOM 30 C LIG 1 -1.653 0.119 -1.618 0.00 0.00 -0.021 A ATOM 31 C LIG 1 -1.714 -1.249 -1.944 0.00 0.00 +0.007 A ATOM 32 C LIG 1 -2.079 -1.664 -3.227 0.00 0.00 +0.020 A ATOM 33 C LIG 1 -2.388 -0.717 -4.199 0.00 0.00 +0.041 A ATOM 34 CL LIG 1 -2.833 -1.227 -5.780 0.00 0.00 -0.084 Cl ATOM 35 C LIG 1 -2.335 0.641 -3.900 0.00 0.00 +0.020 A ATOM 36 C LIG 1 -1.969 1.058 -2.617 0.00 0.00 +0.007 A ENDBRANCH 4 30 BRANCH 2 37 ATOM 37 C LIG 1 1.956 1.256 -1.162 0.00 0.00 +0.083 C ATOM 38 C LIG 1 1.346 2.658 -1.096 0.00 0.00 +0.030 C ATOM 39 C LIG 1 1.889 0.683 -2.576 0.00 0.00 +0.030 C ENDBRANCH 2 37 TORSDOF 4